Cas no 6053-47-0 (12-Cyclopentyl-dodecan-carbonsaeure-(1))
6053-47-0 structure
Product Name:12-Cyclopentyl-dodecan-carbonsaeure-(1)
CAS No:6053-47-0
MF:C18H34O2
MW:282.461366176605
CID:2038308
PubChem ID:15820840
Update Time:2025-04-21
12-Cyclopentyl-dodecan-carbonsaeure-(1) Chemical and Physical Properties
Names and Identifiers
-
- 12-Cyclopentyl-dodecan-carbonsaeure-(1)
- 13-cyclopentyl-tridecanoic acid
- 13-Cyclopentyl-tridecansaeure
- Dihydro-chaulmoograsaeure
- Dihydrochaulmoograsaeure
- dihydrochaulmoogric acid
- mu-Cyclopentyl-tridecylsaeure
- CHEBI:173132
- DTXSID101309185
- SCHEMBL6525128
- 6053-47-0
- Cyclopentanetridecanoic acid
- LMFA01140041
- 13-cyclopentyltridecanoic acid
-
- Inchi： 1S/C18H34O2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h17H,1-16H2,(H,19,20)
- InChI Key： GPWJVXHWELIFNF-UHFFFAOYSA-N
- SMILES： OC(CCCCCCCCCCCCC1CCCC1)=O
Computed Properties
- Exact Mass: 282.255880323g/mol
- Monoisotopic Mass: 282.255880323g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 13
- Complexity: 232
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.7
- Topological Polar Surface Area: 37.3?2
12-Cyclopentyl-dodecan-carbonsaeure-(1) Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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