1-(1-methoxy-4-methylcyclohexyl)-4,4-dimethylpentan-1-ol

C15H30O2 — CID 116754445

IUPAC1-(1-methoxy-4-methylcyclohexyl)-4,4-dimethylpentan-1-ol
SMILESCOC1(C(O)CCC(C)(C)C)CCC(C)CC1
InChIInChI=1S/C15H30O2/c1-12-6-10-15(17-5,11-7-12)13(16)8-9-14(2,3)4/h12-13,16H,6-11H2,1-5H3
InChIKeyOQZPFPNEDRFFTG-UHFFFAOYSA-N
MW242.40 g/mol
LogP3.77
Rot. Bonds4

About 1-(1-methoxy-4-methylcyclohexyl)-4,4-dimethylpentan-1-ol

1-(1-methoxy-4-methylcyclohexyl)-4,4-dimethylpentan-1-ol (PubChem CID 116754445) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 1-(1-methoxy-4-methylcyclohexyl)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name1-(1-methoxy-4-methylcyclohexyl)-4,4-dimethylpentan-1-ol
PubChem CID116754445
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name1-(1-methoxy-4-methylcyclohexyl)-4,4-dimethylpentan-1-ol
SMILESCOC1(C(O)CCC(C)(C)C)CCC(C)CC1
InChIInChI=1S/C15H30O2/c1-12-6-10-15(17-5,11-7-12)13(16)8-9-14(2,3)4/h12-13,16H,6-11H2,1-5H3
InChIKeyOQZPFPNEDRFFTG-UHFFFAOYSA-N
XLogP3.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 53.77
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-methylcyclohexyl)-4,4-dimethylpentan-1-ol?
The IUPAC name of 1-(1-methoxy-4-methylcyclohexyl)-4,4-dimethylpentan-1-ol (CID 116754445) is 1-(1-methoxy-4-methylcyclohexyl)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 1-(1-methoxy-4-methylcyclohexyl)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 1-(1-methoxy-4-methylcyclohexyl)-4,4-dimethylpentan-1-ol is COC1(C(O)CCC(C)(C)C)CCC(C)CC1.
What is the InChIKey of 1-(1-methoxy-4-methylcyclohexyl)-4,4-dimethylpentan-1-ol?
The InChIKey is OQZPFPNEDRFFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-12-6-10-15(17-5,11-7-12)13(16)8-9-14(2,3)4/h12-13,16H,6-11H2,1-5H3.
What are the key properties of 1-(1-methoxy-4-methylcyclohexyl)-4,4-dimethylpentan-1-ol?
1-(1-methoxy-4-methylcyclohexyl)-4,4-dimethylpentan-1-ol has a molecular weight of 242.40 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-4-methylcyclohexyl)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 116754445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).