Cas no 62630-89-1 (3-Heptanol, 7,7-dimethoxy-2,6-dimethyl-)
62630-89-1 structure
Product Name:3-Heptanol, 7,7-dimethoxy-2,6-dimethyl-
CAS No:62630-89-1
MF:C11H24O3
MW:204.306464195251
CID:437356
PubChem ID:21399162
Update Time:2025-04-19
3-Heptanol, 7,7-dimethoxy-2,6-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Heptanol, 7,7-dimethoxy-2,6-dimethyl-
- 7,7-dimethoxy-2,6-dimethylheptan-3-ol
- 1,1-dimethoxy-5-hydroxy-2,6-dimethylheptane
- SCHEMBL11689849
- DTXSID00613098
- 62630-89-1
- APFYXVHCXZIQLY-UHFFFAOYSA-N
-
- Inchi： 1S/C11H24O3/c1-8(2)10(12)7-6-9(3)11(13-4)14-5/h8-12H,6-7H2,1-5H3
- InChI Key： APFYXVHCXZIQLY-UHFFFAOYSA-N
- SMILES： OC(C(C)C)CCC(C)C(OC)OC
Computed Properties
- Exact Mass: 204.17262
- Monoisotopic Mass: 204.17254462g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 7
- Complexity: 133
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 38.7?2
Experimental Properties
- PSA: 38.69
3-Heptanol, 7,7-dimethoxy-2,6-dimethyl- Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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