2-[2-(4-chlorocyclohexyl)-3-cycloheptyl-2-cyclohexylcyclooctyl]cyclopentan-1-ol

C32H55ClO — CID 173181568

IUPAC2-[2-(4-chlorocyclohexyl)-3-cycloheptyl-2-cyclohexylcyclooctyl]cyclopentan-1-ol
SMILESOC1CCCC1C1CCCCCC(C2CCCCCC2)C1(C1CCCCC1)C1CCC(Cl)CC1
InChIInChI=1S/C32H55ClO/c33-27-22-20-26(21-23-27)32(25-14-7-3-8-15-25)29(24-12-5-1-2-6-13-24)17-9-4-10-18-30(32)28-16-11-19-31(28)34/h24-31,34H,1-23H2
InChIKeyDZNZXGWNYRZOIP-UHFFFAOYSA-N
MW491.24 g/mol
LogP9.68
Rot. Bonds4

About 2-[2-(4-chlorocyclohexyl)-3-cycloheptyl-2-cyclohexylcyclooctyl]cyclopentan-1-ol

2-[2-(4-chlorocyclohexyl)-3-cycloheptyl-2-cyclohexylcyclooctyl]cyclopentan-1-ol (PubChem CID 173181568) has the molecular formula C32H55ClO and a molecular weight of 491.24 g/mol. Its IUPAC name is 2-[2-(4-chlorocyclohexyl)-3-cycloheptyl-2-cyclohexylcyclooctyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[2-(4-chlorocyclohexyl)-3-cycloheptyl-2-cyclohexylcyclooctyl]cyclopentan-1-ol
PubChem CID173181568
Molecular FormulaC32H55ClO
Molecular Weight491.24 g/mol
Exact Mass490.39
IUPAC Name2-[2-(4-chlorocyclohexyl)-3-cycloheptyl-2-cyclohexylcyclooctyl]cyclopentan-1-ol
SMILESOC1CCCC1C1CCCCCC(C2CCCCCC2)C1(C1CCCCC1)C1CCC(Cl)CC1
InChIInChI=1S/C32H55ClO/c33-27-22-20-26(21-23-27)32(25-14-7-3-8-15-25)29(24-12-5-1-2-6-13-24)17-9-4-10-18-30(32)28-16-11-19-31(28)34/h24-31,34H,1-23H2
InChIKeyDZNZXGWNYRZOIP-UHFFFAOYSA-N
XLogP9.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.24
LogP ≤ 59.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorocyclohexyl)-3-cycloheptyl-2-cyclohexylcyclooctyl]cyclopentan-1-ol?
The IUPAC name of 2-[2-(4-chlorocyclohexyl)-3-cycloheptyl-2-cyclohexylcyclooctyl]cyclopentan-1-ol (CID 173181568) is 2-[2-(4-chlorocyclohexyl)-3-cycloheptyl-2-cyclohexylcyclooctyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[2-(4-chlorocyclohexyl)-3-cycloheptyl-2-cyclohexylcyclooctyl]cyclopentan-1-ol?
The canonical SMILES for 2-[2-(4-chlorocyclohexyl)-3-cycloheptyl-2-cyclohexylcyclooctyl]cyclopentan-1-ol is OC1CCCC1C1CCCCCC(C2CCCCCC2)C1(C1CCCCC1)C1CCC(Cl)CC1.
What is the InChIKey of 2-[2-(4-chlorocyclohexyl)-3-cycloheptyl-2-cyclohexylcyclooctyl]cyclopentan-1-ol?
The InChIKey is DZNZXGWNYRZOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H55ClO/c33-27-22-20-26(21-23-27)32(25-14-7-3-8-15-25)29(24-12-5-1-2-6-13-24)17-9-4-10-18-30(32)28-16-11-19-31(28)34/h24-31,34H,1-23H2.
What are the key properties of 2-[2-(4-chlorocyclohexyl)-3-cycloheptyl-2-cyclohexylcyclooctyl]cyclopentan-1-ol?
2-[2-(4-chlorocyclohexyl)-3-cycloheptyl-2-cyclohexylcyclooctyl]cyclopentan-1-ol has a molecular weight of 491.24 g/mol, XLogP of 9.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorocyclohexyl)-3-cycloheptyl-2-cyclohexylcyclooctyl]cyclopentan-1-ol is sourced from PubChem (CID 173181568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).