4-methoxy-3-methyl-1-(4-methylcyclohexyl)butan-1-ol

C13H26O2 — CID 105102620

IUPAC4-methoxy-3-methyl-1-(4-methylcyclohexyl)butan-1-ol
SMILESCOCC(C)CC(O)C1CCC(C)CC1
InChIInChI=1S/C13H26O2/c1-10-4-6-12(7-5-10)13(14)8-11(2)9-15-3/h10-14H,4-9H2,1-3H3
InChIKeyGIKXVCXYQMKZBB-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.85
Rot. Bonds5

About 4-methoxy-3-methyl-1-(4-methylcyclohexyl)butan-1-ol

4-methoxy-3-methyl-1-(4-methylcyclohexyl)butan-1-ol (PubChem CID 105102620) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 4-methoxy-3-methyl-1-(4-methylcyclohexyl)butan-1-ol.

Molecular Properties

Compound Name4-methoxy-3-methyl-1-(4-methylcyclohexyl)butan-1-ol
PubChem CID105102620
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name4-methoxy-3-methyl-1-(4-methylcyclohexyl)butan-1-ol
SMILESCOCC(C)CC(O)C1CCC(C)CC1
InChIInChI=1S/C13H26O2/c1-10-4-6-12(7-5-10)13(14)8-11(2)9-15-3/h10-14H,4-9H2,1-3H3
InChIKeyGIKXVCXYQMKZBB-UHFFFAOYSA-N
XLogP2.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methoxy-3-methylbutan-1-ol
CID 105113903
1,3-dimethoxy-2-methylpropane;ethane;1-methoxy-4-methylcyclohexane
CID 143819312
1-(4-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105102501
3-ethyl-1-(4-methylcyclohexyl)heptan-1-ol
CID 63410678
3-butoxy-1-(4-methylcyclohexyl)propan-1-ol
CID 115003111
1-cyclopropyl-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105157171
5-methyl-1-(4-methylcyclohexyl)hexan-1-ol
CID 83158070
1-cyclobutyl-3-methylhexan-1-ol
CID 64986952
1-cyclopropyl-2-propan-2-yloxyethanol
CID 58386136
3-methyl-1-(4-propylcyclohexyl)hexan-1-ol
CID 65424878
1-methoxy-2-methylnonan-4-ol
CID 105086152
4-methoxy-3-methyl-1-(3-methylcyclohexyl)-N-propylbutan-1-amine
CID 105155901

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-1-(4-methylcyclohexyl)butan-1-ol?
The IUPAC name of 4-methoxy-3-methyl-1-(4-methylcyclohexyl)butan-1-ol (CID 105102620) is 4-methoxy-3-methyl-1-(4-methylcyclohexyl)butan-1-ol.
What is the SMILES notation for 4-methoxy-3-methyl-1-(4-methylcyclohexyl)butan-1-ol?
The canonical SMILES for 4-methoxy-3-methyl-1-(4-methylcyclohexyl)butan-1-ol is COCC(C)CC(O)C1CCC(C)CC1.
What is the InChIKey of 4-methoxy-3-methyl-1-(4-methylcyclohexyl)butan-1-ol?
The InChIKey is GIKXVCXYQMKZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-10-4-6-12(7-5-10)13(14)8-11(2)9-15-3/h10-14H,4-9H2,1-3H3.
What are the key properties of 4-methoxy-3-methyl-1-(4-methylcyclohexyl)butan-1-ol?
4-methoxy-3-methyl-1-(4-methylcyclohexyl)butan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-1-(4-methylcyclohexyl)butan-1-ol is sourced from PubChem (CID 105102620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).