2bcHCaA3bcH

HCID 175685129

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Basic information

CAS: 1385049-72-8
Standard SMILES: CCCC1CCC(C2CCC(OC(=O)C3CCC(C4CCC(CC)CC4)CC3)CC2)CC1
InChIKey: ICURGLJKOPICJQ-UHFFFAOYSA-N
Molecular formula: C30H52O2
Average molar mass: 444.7 g/mol
Monoisotopic mass: 444.3967309

Names & identifiers

Preferred name: 2bcHCaA3bcH
IUPAC: [4-(4-propylcyclohexyl)cyclohexyl] 4-(4-ethylcyclohexyl)cyclohexane-1-carboxylate

Names & synonyms

2bcHCaA3bcHDTXSID3013775324-(4-propylcyclohexyl)cyclohexyl 4-(4-ethylcyclohexyl)cyclohexanecarboxylate[1,1a(2)-Bicyclohexyl]-4-carboxylic acid, 4a(2)-ethyl-, (trans,trans)-4a(2)-propyl[1,1a(2)-bicyclohexyl]-4-yl ester, (trans,trans)-1385049-72-8

Database identifiers

CAS: 1385049-72-8
PubChem CID: 175685129
DTXSID: DTXSID301377532

Properties

Computed structural properties

XLogP: 11
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 8
Heavy atoms: 32
Formal charge: 0
Complexity: 539

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