Cas no 184178-86-7 (1-Oxaspiro[2.5]octane,5-methyl-8-(1-methylethyl)-, (5R,8S)-)
![1-Oxaspiro[2.5]octane,5-methyl-8-(1-methylethyl)-, (5R,8S)- structure](https://ossimg.kuujia.com/scimg/184500/184178-86-7x500.png)
184178-86-7 structure
Product Name:1-Oxaspiro[2.5]octane,5-methyl-8-(1-methylethyl)-, (5R,8S)-
CAS No:184178-86-7
MF:C11H20O
MW:168.275903701782
CID:114273
PubChem ID:21577749
Update Time:2025-04-18
1-Oxaspiro[2.5]octane,5-methyl-8-(1-methylethyl)-, (5R,8S)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Oxaspiro[2.5]octane,5-methyl-8-(1-methylethyl)-, (5R,8S)-
- 1-Oxaspiro[2.5]octane,7-methyl-4-(1-methylethyl)-,(3S,4S,7R)-(9CI)
- SCHEMBL10001725
- (3S,4S,7R)-7-methyl-4-propan-2-yl-1-oxaspiro[2.5]octane
- 184178-86-7
-
- Inchi： 1S/C11H20O/c1-8(2)10-5-4-9(3)6-11(10)7-12-11/h8-10H,4-7H2,1-3H3/t9-,10+,11-/m1/s1
- InChI Key： BJPUHZQRGZKFJL-OUAUKWLOSA-N
- SMILES： O1C[C@]21C[C@H](C)CC[C@H]2C(C)C
Computed Properties
- Exact Mass: 168.1515
- Monoisotopic Mass: 168.151415257g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 176
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 12.5?2
Experimental Properties
- PSA: 12.53
1-Oxaspiro[2.5]octane,5-methyl-8-(1-methylethyl)-, (5R,8S)- Related Literature
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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