3,3-dimethoxycyclobutan-1-ol

C6H12O3 — CID 130945109

IUPAC3,3-dimethoxycyclobutan-1-ol
SMILESCOC1(OC)CC(O)C1
InChIInChI=1S/C6H12O3/c1-8-6(9-2)3-5(7)4-6/h5,7H,3-4H2,1-2H3
InChIKeySVJAHCCZKKZMMK-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.13
Rot. Bonds2

About 3,3-dimethoxycyclobutan-1-ol

3,3-dimethoxycyclobutan-1-ol (PubChem CID 130945109) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 3,3-dimethoxycyclobutan-1-ol.

Molecular Properties

Compound Name3,3-dimethoxycyclobutan-1-ol
PubChem CID130945109
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name3,3-dimethoxycyclobutan-1-ol
SMILESCOC1(OC)CC(O)C1
InChIInChI=1S/C6H12O3/c1-8-6(9-2)3-5(7)4-6/h5,7H,3-4H2,1-2H3
InChIKeySVJAHCCZKKZMMK-UHFFFAOYSA-N
XLogP0.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

cis-(1R,3S)-2-(2-hydroxyethyl)-5,5-dimethoxycyclohexane-1,2,3-triol
CID 25197463
methyl 3-hydroxy-1-methoxycyclobutane-1-carboxylate
CID 137347052
(3aR,6aS)-5,5-dimethoxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]thiophene
CID 14310370
N-[(3,3-dimethoxycyclobutyl)methyl]ethanamine
CID 121208176
CID 102188245
CID 102188245
1-(3,3-dimethoxycyclobutyl)but-2-yn-1-one
CID 66688507
1-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)peroxy-2,2,6,6-tetramethylpiperidin-4-ol
CID 57082175
5-cyclopropyl-1,1,3,3-tetramethoxycyclohexane
CID 71349578
tert-butyl N-(3,3-dimethoxycyclobutyl)carbamate
CID 142054635
3a,6a-bis(methylamino)-1,2,3,4,5,6-hexahydropentalene-2,5-diol
CID 163857991
3,3,5,5-tetramethylcyclohexan-1-ol;dihydrochloride
CID 141116426
1-methoxy-2-methylcyclopropan-1-ol
CID 12590266

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethoxycyclobutan-1-ol?
The IUPAC name of 3,3-dimethoxycyclobutan-1-ol (CID 130945109) is 3,3-dimethoxycyclobutan-1-ol.
What is the SMILES notation for 3,3-dimethoxycyclobutan-1-ol?
The canonical SMILES for 3,3-dimethoxycyclobutan-1-ol is COC1(OC)CC(O)C1.
What is the InChIKey of 3,3-dimethoxycyclobutan-1-ol?
The InChIKey is SVJAHCCZKKZMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-8-6(9-2)3-5(7)4-6/h5,7H,3-4H2,1-2H3.
What are the key properties of 3,3-dimethoxycyclobutan-1-ol?
3,3-dimethoxycyclobutan-1-ol has a molecular weight of 132.16 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethoxycyclobutan-1-ol is sourced from PubChem (CID 130945109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).