3,4-dimethyl-7-oxabicyclo[4.1.0]heptan-3-ol

C8H14O2 — CID 154329896

IUPAC3,4-dimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
SMILESCC1CC2OC2CC1(C)O
InChIInChI=1S/C8H14O2/c1-5-3-6-7(10-6)4-8(5,2)9/h5-7,9H,3-4H2,1-2H3
InChIKeyAZFQETDYJUVHHK-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.93
Rot. Bonds

About 3,4-dimethyl-7-oxabicyclo[4.1.0]heptan-3-ol

3,4-dimethyl-7-oxabicyclo[4.1.0]heptan-3-ol (PubChem CID 154329896) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3,4-dimethyl-7-oxabicyclo[4.1.0]heptan-3-ol.

Molecular Properties

Compound Name3,4-dimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
PubChem CID154329896
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3,4-dimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
SMILESCC1CC2OC2CC1(C)O
InChIInChI=1S/C8H14O2/c1-5-3-6-7(10-6)4-8(5,2)9/h5-7,9H,3-4H2,1-2H3
InChIKeyAZFQETDYJUVHHK-UHFFFAOYSA-N
XLogP0.93
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(1R,2R,4R)-1,2-dimethyl-4-propan-2-ylcyclopentan-1-ol
CID 131849352
(1S,2S,4R)-1,2-dimethyl-4-propan-2-ylcyclopentan-1-ol
CID 10261332
3,4-dimethyl-3-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane
CID 57084150
cyclohexyl 3,4-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 158992825
2,2,3-trimethyl-6-oxabicyclo[3.1.0]hexane
CID 123178481
(1S,3R,5R,7S)-1,7-dimethyl-4,8-dioxatricyclo[5.1.0.03,5]octane
CID 98095280
2-methylcyclopropane-1,1-diol
CID 68932442
3-methyl-3-[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)oxy]-7-oxabicyclo[4.1.0]heptane
CID 152585972
(1S,2S,4R)-2-(hydroxymethyl)-1,4-dimethylcyclopentan-1-ol
CID 58944578
1-(2-hydroxyethyl)-2-methylcyclopropan-1-ol
CID 56622517
(1R,3R,4R)-1,3,4-trimethylcyclopentane-1,3-diol
CID 10486972
3,4-dimethyl-7-oxabicyclo[4.1.0]heptane;molecular hydrogen
CID 143301636

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-7-oxabicyclo[4.1.0]heptan-3-ol?
The IUPAC name of 3,4-dimethyl-7-oxabicyclo[4.1.0]heptan-3-ol (CID 154329896) is 3,4-dimethyl-7-oxabicyclo[4.1.0]heptan-3-ol.
What is the SMILES notation for 3,4-dimethyl-7-oxabicyclo[4.1.0]heptan-3-ol?
The canonical SMILES for 3,4-dimethyl-7-oxabicyclo[4.1.0]heptan-3-ol is CC1CC2OC2CC1(C)O.
What is the InChIKey of 3,4-dimethyl-7-oxabicyclo[4.1.0]heptan-3-ol?
The InChIKey is AZFQETDYJUVHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-5-3-6-7(10-6)4-8(5,2)9/h5-7,9H,3-4H2,1-2H3.
What are the key properties of 3,4-dimethyl-7-oxabicyclo[4.1.0]heptan-3-ol?
3,4-dimethyl-7-oxabicyclo[4.1.0]heptan-3-ol has a molecular weight of 142.20 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-7-oxabicyclo[4.1.0]heptan-3-ol is sourced from PubChem (CID 154329896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).