(1S,4Z,9S)-1-methyl-6-methylidene-10-oxabicyclo[7.1.0]dec-4-ene

C11H16O — CID 51350596

IUPAC(1S,4Z,9S)-1-methyl-6-methylidene-10-oxabicyclo[7.1.0]dec-4-ene
SMILESC=C1/C=C\CC[C@]2(C)O[C@H]2CC1
InChIInChI=1S/C11H16O/c1-9-5-3-4-8-11(2)10(12-11)7-6-9/h3,5,10H,1,4,6-8H2,2H3/b5-3-/t10-,11-/m0/s1
InChIKeyGVWMTRPEBKLXPR-NBLPHYOQSA-N
MW164.25 g/mol
LogP2.83
Rot. Bonds

About (1S,4Z,9S)-1-methyl-6-methylidene-10-oxabicyclo[7.1.0]dec-4-ene

(1S,4Z,9S)-1-methyl-6-methylidene-10-oxabicyclo[7.1.0]dec-4-ene (PubChem CID 51350596) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (1S,4Z,9S)-1-methyl-6-methylidene-10-oxabicyclo[7.1.0]dec-4-ene.

Molecular Properties

Compound Name(1S,4Z,9S)-1-methyl-6-methylidene-10-oxabicyclo[7.1.0]dec-4-ene
PubChem CID51350596
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(1S,4Z,9S)-1-methyl-6-methylidene-10-oxabicyclo[7.1.0]dec-4-ene
SMILESC=C1/C=C\CC[C@]2(C)O[C@H]2CC1
InChIInChI=1S/C11H16O/c1-9-5-3-4-8-11(2)10(12-11)7-6-9/h3,5,10H,1,4,6-8H2,2H3/b5-3-/t10-,11-/m0/s1
InChIKeyGVWMTRPEBKLXPR-NBLPHYOQSA-N
XLogP2.83
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S,4Z,9S)-1-methyl-6-methylidene-10-oxabicyclo[7.1.0]dec-4-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,4Z,9S)-1-methyl-6-methylidene-10-oxabicyclo[7.1.0]dec-4-ene?
The IUPAC name of (1S,4Z,9S)-1-methyl-6-methylidene-10-oxabicyclo[7.1.0]dec-4-ene (CID 51350596) is (1S,4Z,9S)-1-methyl-6-methylidene-10-oxabicyclo[7.1.0]dec-4-ene.
What is the SMILES notation for (1S,4Z,9S)-1-methyl-6-methylidene-10-oxabicyclo[7.1.0]dec-4-ene?
The canonical SMILES for (1S,4Z,9S)-1-methyl-6-methylidene-10-oxabicyclo[7.1.0]dec-4-ene is C=C1/C=C\CC[C@]2(C)O[C@H]2CC1.
What is the InChIKey of (1S,4Z,9S)-1-methyl-6-methylidene-10-oxabicyclo[7.1.0]dec-4-ene?
The InChIKey is GVWMTRPEBKLXPR-NBLPHYOQSA-N. The full InChI is InChI=1S/C11H16O/c1-9-5-3-4-8-11(2)10(12-11)7-6-9/h3,5,10H,1,4,6-8H2,2H3/b5-3-/t10-,11-/m0/s1.
What are the key properties of (1S,4Z,9S)-1-methyl-6-methylidene-10-oxabicyclo[7.1.0]dec-4-ene?
(1S,4Z,9S)-1-methyl-6-methylidene-10-oxabicyclo[7.1.0]dec-4-ene has a molecular weight of 164.25 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4Z,9S)-1-methyl-6-methylidene-10-oxabicyclo[7.1.0]dec-4-ene is sourced from PubChem (CID 51350596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).