1-(3-hydroxypropyl)-2-methylcyclobutan-1-ol

C8H16O2 — CID 56631028

IUPAC1-(3-hydroxypropyl)-2-methylcyclobutan-1-ol
SMILESCC1CCC1(O)CCCO
InChIInChI=1S/C8H16O2/c1-7-3-5-8(7,10)4-2-6-9/h7,9-10H,2-6H2,1H3
InChIKeyZKHQXKAPDXEXBF-UHFFFAOYSA-N
MW144.21 g/mol
LogP0.92
Rot. Bonds3

About 1-(3-hydroxypropyl)-2-methylcyclobutan-1-ol

1-(3-hydroxypropyl)-2-methylcyclobutan-1-ol (PubChem CID 56631028) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-2-methylcyclobutan-1-ol.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-2-methylcyclobutan-1-ol
PubChem CID56631028
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name1-(3-hydroxypropyl)-2-methylcyclobutan-1-ol
SMILESCC1CCC1(O)CCCO
InChIInChI=1S/C8H16O2/c1-7-3-5-8(7,10)4-2-6-9/h7,9-10H,2-6H2,1H3
InChIKeyZKHQXKAPDXEXBF-UHFFFAOYSA-N
XLogP0.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-hydroxypropyl)-2-methylcyclopropan-1-ol
CID 54261180
1-(2-hydroxyethyl)-2-methylcyclopropan-1-ol
CID 56622517
(1R,2R,4R)-4-tert-butyl-1-(3-hydroxypropyl)-2-methoxycyclohexan-1-ol
CID 15759025
trans-(1S,2R)-1-(3-hydroxypropyl)-2-methoxycyclohexan-1-ol
CID 98010257
1-(3-hydroxypropyl)-2-phosphanyloxycyclopentan-1-ol
CID 58779204
2-methyl-1-[(1-methylcyclopentyl)methyl]cyclobutan-1-ol
CID 130578288
2,5-dimethyl-1-(4-methylpentyl)cyclohexan-1-ol
CID 83158284
2-methyl-1-[2-(oxolan-2-yl)ethyl]cyclobutan-1-ol
CID 130554995
2-methyl-1-(3-methylbutyl)cyclopentan-1-ol
CID 65154140
3-[1-(3-hydroxypropyl)-4,4-dimethylcyclohexyl]propan-1-ol
CID 139787359
6a-(2-hydroxyethyl)-3-methyl-1,2,3,4,5,6-hexahydropentalen-3a-ol
CID 130151118
1-but-3-ynyl-2-methylcyclopentan-1-ol
CID 65050041

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-2-methylcyclobutan-1-ol?
The IUPAC name of 1-(3-hydroxypropyl)-2-methylcyclobutan-1-ol (CID 56631028) is 1-(3-hydroxypropyl)-2-methylcyclobutan-1-ol.
What is the SMILES notation for 1-(3-hydroxypropyl)-2-methylcyclobutan-1-ol?
The canonical SMILES for 1-(3-hydroxypropyl)-2-methylcyclobutan-1-ol is CC1CCC1(O)CCCO.
What is the InChIKey of 1-(3-hydroxypropyl)-2-methylcyclobutan-1-ol?
The InChIKey is ZKHQXKAPDXEXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-7-3-5-8(7,10)4-2-6-9/h7,9-10H,2-6H2,1H3.
What are the key properties of 1-(3-hydroxypropyl)-2-methylcyclobutan-1-ol?
1-(3-hydroxypropyl)-2-methylcyclobutan-1-ol has a molecular weight of 144.21 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-2-methylcyclobutan-1-ol is sourced from PubChem (CID 56631028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).