1-(1-methoxy-3-methylcyclohexyl)-4-(oxolan-2-yl)butan-1-ol

C16H30O3 — CID 116755036

IUPAC1-(1-methoxy-3-methylcyclohexyl)-4-(oxolan-2-yl)butan-1-ol
SMILESCOC1(C(O)CCCC2CCCO2)CCCC(C)C1
InChIInChI=1S/C16H30O3/c1-13-6-4-10-16(12-13,18-2)15(17)9-3-7-14-8-5-11-19-14/h13-15,17H,3-12H2,1-2H3
InChIKeyXHFXFZQMKARJHU-UHFFFAOYSA-N
MW270.41 g/mol
LogP3.29
Rot. Bonds6

About 1-(1-methoxy-3-methylcyclohexyl)-4-(oxolan-2-yl)butan-1-ol

1-(1-methoxy-3-methylcyclohexyl)-4-(oxolan-2-yl)butan-1-ol (PubChem CID 116755036) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is 1-(1-methoxy-3-methylcyclohexyl)-4-(oxolan-2-yl)butan-1-ol.

Molecular Properties

Compound Name1-(1-methoxy-3-methylcyclohexyl)-4-(oxolan-2-yl)butan-1-ol
PubChem CID116755036
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name1-(1-methoxy-3-methylcyclohexyl)-4-(oxolan-2-yl)butan-1-ol
SMILESCOC1(C(O)CCCC2CCCO2)CCCC(C)C1
InChIInChI=1S/C16H30O3/c1-13-6-4-10-16(12-13,18-2)15(17)9-3-7-14-8-5-11-19-14/h13-15,17H,3-12H2,1-2H3
InChIKeyXHFXFZQMKARJHU-UHFFFAOYSA-N
XLogP3.29
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methoxy-3-methylcyclohexyl)-4-(oxolan-2-yl)butan-1-amine
CID 116767606
1-[1-(dimethylamino)cyclopentyl]-4-(oxolan-2-yl)butan-1-ol
CID 79067154
[3-methyl-1-[3-(oxolan-2-yl)propylamino]cyclohexyl]methanol
CID 65163745
3-methyl-1-[3-(oxolan-2-yl)propyl]cyclohexane-1-carboxylic acid
CID 65395527
1-(diethylamino)-6-(oxolan-2-yl)hexan-3-ol
CID 79087658
4-(oxolan-2-yl)-1-(1-piperidin-1-ylcyclopentyl)butan-1-ol
CID 79057218
1-(1-methoxy-3-methylcyclohexyl)-2-methylpropan-1-ol
CID 116754943
3-methyl-6-(oxolan-2-yl)hexan-2-ol
CID 65166050
1-(4-methoxyoxan-4-yl)-3-(oxolan-2-yl)propan-1-amine
CID 116764425
1-(1-morpholin-4-ylcyclopentyl)-4-(oxolan-2-yl)butan-1-ol
CID 79057526
1-(oxolan-2-yl)octane-4,5-diol
CID 103454832
4-(oxolan-2-yl)-1-(1-phenylcyclopropyl)butan-1-ol
CID 65167277

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-3-methylcyclohexyl)-4-(oxolan-2-yl)butan-1-ol?
The IUPAC name of 1-(1-methoxy-3-methylcyclohexyl)-4-(oxolan-2-yl)butan-1-ol (CID 116755036) is 1-(1-methoxy-3-methylcyclohexyl)-4-(oxolan-2-yl)butan-1-ol.
What is the SMILES notation for 1-(1-methoxy-3-methylcyclohexyl)-4-(oxolan-2-yl)butan-1-ol?
The canonical SMILES for 1-(1-methoxy-3-methylcyclohexyl)-4-(oxolan-2-yl)butan-1-ol is COC1(C(O)CCCC2CCCO2)CCCC(C)C1.
What is the InChIKey of 1-(1-methoxy-3-methylcyclohexyl)-4-(oxolan-2-yl)butan-1-ol?
The InChIKey is XHFXFZQMKARJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-13-6-4-10-16(12-13,18-2)15(17)9-3-7-14-8-5-11-19-14/h13-15,17H,3-12H2,1-2H3.
What are the key properties of 1-(1-methoxy-3-methylcyclohexyl)-4-(oxolan-2-yl)butan-1-ol?
1-(1-methoxy-3-methylcyclohexyl)-4-(oxolan-2-yl)butan-1-ol has a molecular weight of 270.41 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-3-methylcyclohexyl)-4-(oxolan-2-yl)butan-1-ol is sourced from PubChem (CID 116755036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).