2-(4-cyclohexyl-4-methylpentan-2-yl)cyclohexan-1-ol

C18H34O — CID 139594590

IUPAC2-(4-cyclohexyl-4-methylpentan-2-yl)cyclohexan-1-ol
SMILESCC(CC(C)(C)C1CCCCC1)C1CCCCC1O
InChIInChI=1S/C18H34O/c1-14(16-11-7-8-12-17(16)19)13-18(2,3)15-9-5-4-6-10-15/h14-17,19H,4-13H2,1-3H3
InChIKeyCPKAJMGGOFVEDN-UHFFFAOYSA-N
MW266.47 g/mol
LogP5.17
Rot. Bonds4

About 2-(4-cyclohexyl-4-methylpentan-2-yl)cyclohexan-1-ol

2-(4-cyclohexyl-4-methylpentan-2-yl)cyclohexan-1-ol (PubChem CID 139594590) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is 2-(4-cyclohexyl-4-methylpentan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(4-cyclohexyl-4-methylpentan-2-yl)cyclohexan-1-ol
PubChem CID139594590
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Name2-(4-cyclohexyl-4-methylpentan-2-yl)cyclohexan-1-ol
SMILESCC(CC(C)(C)C1CCCCC1)C1CCCCC1O
InChIInChI=1S/C18H34O/c1-14(16-11-7-8-12-17(16)19)13-18(2,3)15-9-5-4-6-10-15/h14-17,19H,4-13H2,1-3H3
InChIKeyCPKAJMGGOFVEDN-UHFFFAOYSA-N
XLogP5.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.47
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexyl-4-methylpentan-2-yl)cyclohexan-1-ol?
The IUPAC name of 2-(4-cyclohexyl-4-methylpentan-2-yl)cyclohexan-1-ol (CID 139594590) is 2-(4-cyclohexyl-4-methylpentan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 2-(4-cyclohexyl-4-methylpentan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 2-(4-cyclohexyl-4-methylpentan-2-yl)cyclohexan-1-ol is CC(CC(C)(C)C1CCCCC1)C1CCCCC1O.
What is the InChIKey of 2-(4-cyclohexyl-4-methylpentan-2-yl)cyclohexan-1-ol?
The InChIKey is CPKAJMGGOFVEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O/c1-14(16-11-7-8-12-17(16)19)13-18(2,3)15-9-5-4-6-10-15/h14-17,19H,4-13H2,1-3H3.
What are the key properties of 2-(4-cyclohexyl-4-methylpentan-2-yl)cyclohexan-1-ol?
2-(4-cyclohexyl-4-methylpentan-2-yl)cyclohexan-1-ol has a molecular weight of 266.47 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexyl-4-methylpentan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 139594590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).