3-(dimethoxymethyl)cyclobutan-1-ol

C7H14O3 — CID 168903688

IUPAC3-(dimethoxymethyl)cyclobutan-1-ol
SMILESCOC(OC)C1CC(O)C1
InChIInChI=1S/C7H14O3/c1-9-7(10-2)5-3-6(8)4-5/h5-8H,3-4H2,1-2H3
InChIKeyRJCNEBBJAIZOFH-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.38
Rot. Bonds3

About 3-(dimethoxymethyl)cyclobutan-1-ol

3-(dimethoxymethyl)cyclobutan-1-ol (PubChem CID 168903688) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 3-(dimethoxymethyl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-(dimethoxymethyl)cyclobutan-1-ol
PubChem CID168903688
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name3-(dimethoxymethyl)cyclobutan-1-ol
SMILESCOC(OC)C1CC(O)C1
InChIInChI=1S/C7H14O3/c1-9-7(10-2)5-3-6(8)4-5/h5-8H,3-4H2,1-2H3
InChIKeyRJCNEBBJAIZOFH-UHFFFAOYSA-N
XLogP0.38
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.38
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

trans-(1R,2S)-1-bromo-2-(dimethoxymethyl)cyclopropane
CID 71407671
[3-(dihydroxymethyl)-5-hydroxycyclohexyl]methanediol
CID 5255256
cis-(1R,2S)-cyclopentane-1,2,4-triol
CID 11073392
(1R,4R,5S)-4-(dimethoxymethyl)-5-(hydroxymethyl)cyclohexane-1,2-diol
CID 156856968
1-methyl-3-propan-2-ylcyclopentane;3-propan-2-ylcyclobutan-1-ol
CID 158535526
2-(dimethoxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 154554041
cyclobutane-1,3-diol
CID 175518786
trans-(1S,2S)-2-(dimethoxymethyl)cyclopentan-1-ol
CID 11309669
6,7-dimethoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 45096733
5-(dimethoxymethyl)cyclohexane-1,3-dione
CID 19347799
4-(dimethoxymethyl)-1-methylpiperidine
CID 130714868
6-(dimethoxymethyl)-4-hydroxyoxan-2-one
CID 22909990

Frequently Asked Questions

What is the IUPAC name of 3-(dimethoxymethyl)cyclobutan-1-ol?
The IUPAC name of 3-(dimethoxymethyl)cyclobutan-1-ol (CID 168903688) is 3-(dimethoxymethyl)cyclobutan-1-ol.
What is the SMILES notation for 3-(dimethoxymethyl)cyclobutan-1-ol?
The canonical SMILES for 3-(dimethoxymethyl)cyclobutan-1-ol is COC(OC)C1CC(O)C1.
What is the InChIKey of 3-(dimethoxymethyl)cyclobutan-1-ol?
The InChIKey is RJCNEBBJAIZOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-9-7(10-2)5-3-6(8)4-5/h5-8H,3-4H2,1-2H3.
What are the key properties of 3-(dimethoxymethyl)cyclobutan-1-ol?
3-(dimethoxymethyl)cyclobutan-1-ol has a molecular weight of 146.19 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethoxymethyl)cyclobutan-1-ol is sourced from PubChem (CID 168903688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).