Cas no 55334-10-6 (pentalene, octahydro-2-(1-methylheptadecyl)-)
55334-10-6 structure
Product Name:pentalene, octahydro-2-(1-methylheptadecyl)-
CAS No:55334-10-6
MF:C26H50
MW:362.675208568573
CID:1592612
PubChem ID:71438390
Update Time:2025-04-21
pentalene, octahydro-2-(1-methylheptadecyl)- Chemical and Physical Properties
Names and Identifiers
-
- pentalene, octahydro-2-(1-methylheptadecyl)-
- 2-(Octadecan-2-yl)octahydropentalene
- LogP
- 2-(1-Methylheptadecyl)octahydropentalene
- DB-301640
- 55334-10-6
-
- Inchi： 1S/C26H50/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23(2)26-21-24-19-17-20-25(24)22-26/h23-26H,3-22H2,1-2H3
- InChI Key： RXUJFZPGRCWMNM-UHFFFAOYSA-N
- SMILES： C12CCCC1CC(C(C)CCCCCCCCCCCCCCCC)C2
Computed Properties
- Exact Mass: 362.3915
- Monoisotopic Mass: 362.391251595g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 26
- Rotatable Bond Count: 16
- Complexity: 308
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 12.7
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
pentalene, octahydro-2-(1-methylheptadecyl)- Related Literature
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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