3-[1-(3-hydroxypropyl)-4,4-dimethylcyclohexyl]propan-1-ol

C14H28O2 — CID 139787359

IUPAC3-[1-(3-hydroxypropyl)-4,4-dimethylcyclohexyl]propan-1-ol
SMILESCC1(C)CCC(CCCO)(CCCO)CC1
InChIInChI=1S/C14H28O2/c1-13(2)7-9-14(10-8-13,5-3-11-15)6-4-12-16/h15-16H,3-12H2,1-2H3
InChIKeyGHEFFQHGPNMEDH-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.12
Rot. Bonds6

About 3-[1-(3-hydroxypropyl)-4,4-dimethylcyclohexyl]propan-1-ol

3-[1-(3-hydroxypropyl)-4,4-dimethylcyclohexyl]propan-1-ol (PubChem CID 139787359) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-[1-(3-hydroxypropyl)-4,4-dimethylcyclohexyl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(3-hydroxypropyl)-4,4-dimethylcyclohexyl]propan-1-ol
PubChem CID139787359
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name3-[1-(3-hydroxypropyl)-4,4-dimethylcyclohexyl]propan-1-ol
SMILESCC1(C)CCC(CCCO)(CCCO)CC1
InChIInChI=1S/C14H28O2/c1-13(2)7-9-14(10-8-13,5-3-11-15)6-4-12-16/h15-16H,3-12H2,1-2H3
InChIKeyGHEFFQHGPNMEDH-UHFFFAOYSA-N
XLogP3.12
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-hydroxybutyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 79428551
5-(1,2,2-trimethylcyclopentyl)pentan-1-ol
CID 67793892
6a-(3-hydroxypropyl)-1,2,3,4,5,6-hexahydropentalen-3a-ol
CID 15182683
4-(1-methylcyclopropyl)butan-1-ol
CID 170156502
3-[1-(2-butyl-1,3-dioxol-2-yl)cyclopropyl]propan-1-ol
CID 141007685
3-[1-(aminomethyl)cyclohexyl]propan-1-ol
CID 169495228
1-(3-hydroxypropyl)-2-methylcyclobutan-1-ol
CID 56631028
7-[1-(2-methoxyethyl)cyclopentyl]heptan-1-ol
CID 137487836
1-(3-hydroxypropyl)cyclopropane-1-carbonitrile
CID 130514511
1-hydroxy-4-(3-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-ol
CID 68951185
[4,4-dimethyl-1-(oxiran-2-ylmethyl)cyclohexyl]methanol
CID 165442527
3-(2,3,4-trimethylpiperidin-3-yl)propan-1-ol
CID 19097382

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-hydroxypropyl)-4,4-dimethylcyclohexyl]propan-1-ol?
The IUPAC name of 3-[1-(3-hydroxypropyl)-4,4-dimethylcyclohexyl]propan-1-ol (CID 139787359) is 3-[1-(3-hydroxypropyl)-4,4-dimethylcyclohexyl]propan-1-ol.
What is the SMILES notation for 3-[1-(3-hydroxypropyl)-4,4-dimethylcyclohexyl]propan-1-ol?
The canonical SMILES for 3-[1-(3-hydroxypropyl)-4,4-dimethylcyclohexyl]propan-1-ol is CC1(C)CCC(CCCO)(CCCO)CC1.
What is the InChIKey of 3-[1-(3-hydroxypropyl)-4,4-dimethylcyclohexyl]propan-1-ol?
The InChIKey is GHEFFQHGPNMEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-13(2)7-9-14(10-8-13,5-3-11-15)6-4-12-16/h15-16H,3-12H2,1-2H3.
What are the key properties of 3-[1-(3-hydroxypropyl)-4,4-dimethylcyclohexyl]propan-1-ol?
3-[1-(3-hydroxypropyl)-4,4-dimethylcyclohexyl]propan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-hydroxypropyl)-4,4-dimethylcyclohexyl]propan-1-ol is sourced from PubChem (CID 139787359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).