4-[4-(3-methylpentan-3-yl)cyclohexyl]cyclohexan-1-ol

C18H34O — CID 143129669

IUPAC4-[4-(3-methylpentan-3-yl)cyclohexyl]cyclohexan-1-ol
SMILESCCC(C)(CC)C1CCC(C2CCC(O)CC2)CC1
InChIInChI=1S/C18H34O/c1-4-18(3,5-2)16-10-6-14(7-11-16)15-8-12-17(19)13-9-15/h14-17,19H,4-13H2,1-3H3
InChIKeyQSRPLSBCEXDESS-UHFFFAOYSA-N
MW266.47 g/mol
LogP5.17
Rot. Bonds4

About 4-[4-(3-methylpentan-3-yl)cyclohexyl]cyclohexan-1-ol

4-[4-(3-methylpentan-3-yl)cyclohexyl]cyclohexan-1-ol (PubChem CID 143129669) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is 4-[4-(3-methylpentan-3-yl)cyclohexyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-(3-methylpentan-3-yl)cyclohexyl]cyclohexan-1-ol
PubChem CID143129669
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Name4-[4-(3-methylpentan-3-yl)cyclohexyl]cyclohexan-1-ol
SMILESCCC(C)(CC)C1CCC(C2CCC(O)CC2)CC1
InChIInChI=1S/C18H34O/c1-4-18(3,5-2)16-10-6-14(7-11-16)15-8-12-17(19)13-9-15/h14-17,19H,4-13H2,1-3H3
InChIKeyQSRPLSBCEXDESS-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 4-[4-(3-methylpentan-3-yl)cyclohexyl]cyclohexan-1-ol?
The IUPAC name of 4-[4-(3-methylpentan-3-yl)cyclohexyl]cyclohexan-1-ol (CID 143129669) is 4-[4-(3-methylpentan-3-yl)cyclohexyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[4-(3-methylpentan-3-yl)cyclohexyl]cyclohexan-1-ol?
The canonical SMILES for 4-[4-(3-methylpentan-3-yl)cyclohexyl]cyclohexan-1-ol is CCC(C)(CC)C1CCC(C2CCC(O)CC2)CC1.
What is the InChIKey of 4-[4-(3-methylpentan-3-yl)cyclohexyl]cyclohexan-1-ol?
The InChIKey is QSRPLSBCEXDESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O/c1-4-18(3,5-2)16-10-6-14(7-11-16)15-8-12-17(19)13-9-15/h14-17,19H,4-13H2,1-3H3.
What are the key properties of 4-[4-(3-methylpentan-3-yl)cyclohexyl]cyclohexan-1-ol?
4-[4-(3-methylpentan-3-yl)cyclohexyl]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 4-[4-(3-methylpentan-3-yl)cyclohexyl]cyclohexan-1-ol is sourced from PubChem (CID 143129669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).