1-(2-bicyclo[1.1.0]butanyl)-6-methyl-2-oxabicyclo[3.1.0]hex-5-ene

C10H12O — CID 163634699

IUPAC1-(2-bicyclo[1.1.0]butanyl)-6-methyl-2-oxabicyclo[3.1.0]hex-5-ene
SMILESCC1=C2CCOC12C1C2CC21
InChIInChI=1S/C10H12O/c1-5-8-2-3-11-10(5,8)9-6-4-7(6)9/h6-7,9H,2-4H2,1H3
InChIKeyHZBXWMLZPBKPMK-UHFFFAOYSA-N
MW148.20 g/mol
LogP1.74
Rot. Bonds1

About 1-(2-bicyclo[1.1.0]butanyl)-6-methyl-2-oxabicyclo[3.1.0]hex-5-ene

1-(2-bicyclo[1.1.0]butanyl)-6-methyl-2-oxabicyclo[3.1.0]hex-5-ene (PubChem CID 163634699) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 1-(2-bicyclo[1.1.0]butanyl)-6-methyl-2-oxabicyclo[3.1.0]hex-5-ene.

Molecular Properties

Compound Name1-(2-bicyclo[1.1.0]butanyl)-6-methyl-2-oxabicyclo[3.1.0]hex-5-ene
PubChem CID163634699
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name1-(2-bicyclo[1.1.0]butanyl)-6-methyl-2-oxabicyclo[3.1.0]hex-5-ene
SMILESCC1=C2CCOC12C1C2CC21
InChIInChI=1S/C10H12O/c1-5-8-2-3-11-10(5,8)9-6-4-7(6)9/h6-7,9H,2-4H2,1H3
InChIKeyHZBXWMLZPBKPMK-UHFFFAOYSA-N
XLogP1.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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(1'R,2R,2'R,3'S,5'S,6'S,7'S,9'R,10'S)-spiro[oxirane-2,8'-pentacyclo[5.4.0.02,6.03,10.05,9]undecane]
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CID 98519509
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(1'R,2'R,3'S,5'S,6'S,7'R,9'S,10'S)-spiro[1,3-dioxolane-2,11'-pentacyclo[5.4.0.02,6.03,10.05,9]undecane]-8'-one
CID 98083900
(1'S,2'R,3'R,5'S,6'S,7'R,9'R,10'R)-spiro[1,3-dioxolane-2,11'-pentacyclo[5.4.0.02,6.03,10.05,9]undecane]-8'-one
CID 99722786
pentacyclo[5.4.0.02,6.03,10.05,9]undecane-1,7-diol
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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[1.1.0]butanyl)-6-methyl-2-oxabicyclo[3.1.0]hex-5-ene?
The IUPAC name of 1-(2-bicyclo[1.1.0]butanyl)-6-methyl-2-oxabicyclo[3.1.0]hex-5-ene (CID 163634699) is 1-(2-bicyclo[1.1.0]butanyl)-6-methyl-2-oxabicyclo[3.1.0]hex-5-ene.
What is the SMILES notation for 1-(2-bicyclo[1.1.0]butanyl)-6-methyl-2-oxabicyclo[3.1.0]hex-5-ene?
The canonical SMILES for 1-(2-bicyclo[1.1.0]butanyl)-6-methyl-2-oxabicyclo[3.1.0]hex-5-ene is CC1=C2CCOC12C1C2CC21.
What is the InChIKey of 1-(2-bicyclo[1.1.0]butanyl)-6-methyl-2-oxabicyclo[3.1.0]hex-5-ene?
The InChIKey is HZBXWMLZPBKPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-5-8-2-3-11-10(5,8)9-6-4-7(6)9/h6-7,9H,2-4H2,1H3.
What are the key properties of 1-(2-bicyclo[1.1.0]butanyl)-6-methyl-2-oxabicyclo[3.1.0]hex-5-ene?
1-(2-bicyclo[1.1.0]butanyl)-6-methyl-2-oxabicyclo[3.1.0]hex-5-ene has a molecular weight of 148.20 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[1.1.0]butanyl)-6-methyl-2-oxabicyclo[3.1.0]hex-5-ene is sourced from PubChem (CID 163634699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).