1-(1-methoxy-4,4-dimethylcyclohexyl)-3-methylhexan-1-ol

C16H32O2 — CID 116755710

IUPAC1-(1-methoxy-4,4-dimethylcyclohexyl)-3-methylhexan-1-ol
SMILESCCCC(C)CC(O)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C16H32O2/c1-6-7-13(2)12-14(17)16(18-5)10-8-15(3,4)9-11-16/h13-14,17H,6-12H2,1-5H3
InChIKeyPMLJDMJBMKMGQF-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.16
Rot. Bonds6

About 1-(1-methoxy-4,4-dimethylcyclohexyl)-3-methylhexan-1-ol

1-(1-methoxy-4,4-dimethylcyclohexyl)-3-methylhexan-1-ol (PubChem CID 116755710) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-(1-methoxy-4,4-dimethylcyclohexyl)-3-methylhexan-1-ol.

Molecular Properties

Compound Name1-(1-methoxy-4,4-dimethylcyclohexyl)-3-methylhexan-1-ol
PubChem CID116755710
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name1-(1-methoxy-4,4-dimethylcyclohexyl)-3-methylhexan-1-ol
SMILESCCCC(C)CC(O)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C16H32O2/c1-6-7-13(2)12-14(17)16(18-5)10-8-15(3,4)9-11-16/h13-14,17H,6-12H2,1-5H3
InChIKeyPMLJDMJBMKMGQF-UHFFFAOYSA-N
XLogP4.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-4,4-dimethylcyclohexyl)-3-methylhexan-1-ol?
The IUPAC name of 1-(1-methoxy-4,4-dimethylcyclohexyl)-3-methylhexan-1-ol (CID 116755710) is 1-(1-methoxy-4,4-dimethylcyclohexyl)-3-methylhexan-1-ol.
What is the SMILES notation for 1-(1-methoxy-4,4-dimethylcyclohexyl)-3-methylhexan-1-ol?
The canonical SMILES for 1-(1-methoxy-4,4-dimethylcyclohexyl)-3-methylhexan-1-ol is CCCC(C)CC(O)C1(OC)CCC(C)(C)CC1.
What is the InChIKey of 1-(1-methoxy-4,4-dimethylcyclohexyl)-3-methylhexan-1-ol?
The InChIKey is PMLJDMJBMKMGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-6-7-13(2)12-14(17)16(18-5)10-8-15(3,4)9-11-16/h13-14,17H,6-12H2,1-5H3.
What are the key properties of 1-(1-methoxy-4,4-dimethylcyclohexyl)-3-methylhexan-1-ol?
1-(1-methoxy-4,4-dimethylcyclohexyl)-3-methylhexan-1-ol has a molecular weight of 256.43 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-4,4-dimethylcyclohexyl)-3-methylhexan-1-ol is sourced from PubChem (CID 116755710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).