1-(1-methoxy-4,4-dimethylcyclohexyl)-2-methylpropan-1-ol

C13H26O2 — CID 116755601

IUPAC1-(1-methoxy-4,4-dimethylcyclohexyl)-2-methylpropan-1-ol
SMILESCOC1(C(O)C(C)C)CCC(C)(C)CC1
InChIInChI=1S/C13H26O2/c1-10(2)11(14)13(15-5)8-6-12(3,4)7-9-13/h10-11,14H,6-9H2,1-5H3
InChIKeyNBHLIQSHKHVILE-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.99
Rot. Bonds3

About 1-(1-methoxy-4,4-dimethylcyclohexyl)-2-methylpropan-1-ol

1-(1-methoxy-4,4-dimethylcyclohexyl)-2-methylpropan-1-ol (PubChem CID 116755601) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(1-methoxy-4,4-dimethylcyclohexyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(1-methoxy-4,4-dimethylcyclohexyl)-2-methylpropan-1-ol
PubChem CID116755601
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name1-(1-methoxy-4,4-dimethylcyclohexyl)-2-methylpropan-1-ol
SMILESCOC1(C(O)C(C)C)CCC(C)(C)CC1
InChIInChI=1S/C13H26O2/c1-10(2)11(14)13(15-5)8-6-12(3,4)7-9-13/h10-11,14H,6-9H2,1-5H3
InChIKeyNBHLIQSHKHVILE-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.99
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)-2-methylpropan-1-ol?
The IUPAC name of 1-(1-methoxy-4,4-dimethylcyclohexyl)-2-methylpropan-1-ol (CID 116755601) is 1-(1-methoxy-4,4-dimethylcyclohexyl)-2-methylpropan-1-ol.
What is the SMILES notation for 1-(1-methoxy-4,4-dimethylcyclohexyl)-2-methylpropan-1-ol?
The canonical SMILES for 1-(1-methoxy-4,4-dimethylcyclohexyl)-2-methylpropan-1-ol is COC1(C(O)C(C)C)CCC(C)(C)CC1.
What is the InChIKey of 1-(1-methoxy-4,4-dimethylcyclohexyl)-2-methylpropan-1-ol?
The InChIKey is NBHLIQSHKHVILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-10(2)11(14)13(15-5)8-6-12(3,4)7-9-13/h10-11,14H,6-9H2,1-5H3.
What are the key properties of 1-(1-methoxy-4,4-dimethylcyclohexyl)-2-methylpropan-1-ol?
1-(1-methoxy-4,4-dimethylcyclohexyl)-2-methylpropan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 2.99, 3 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)-2-methylpropan-1-ol is sourced from PubChem (CID 116755601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).