(3Z)-10-oxabicyclo[7.1.0]dec-3-ene

C9H14O — CID 12742771

IUPAC(3Z)-10-oxabicyclo[7.1.0]dec-3-ene
SMILESC1=C\CC2OC2CCCC/1
InChIInChI=1S/C9H14O/c1-2-4-6-8-9(10-8)7-5-3-1/h2,4,8-9H,1,3,5-7H2/b4-2-
InChIKeyHZNUUGHXKZSKFL-RQOWECAXSA-N
MW138.21 g/mol
LogP2.27
Rot. Bonds

About (3Z)-10-oxabicyclo[7.1.0]dec-3-ene

(3Z)-10-oxabicyclo[7.1.0]dec-3-ene (PubChem CID 12742771) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (3Z)-10-oxabicyclo[7.1.0]dec-3-ene.

Molecular Properties

Compound Name(3Z)-10-oxabicyclo[7.1.0]dec-3-ene
PubChem CID12742771
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(3Z)-10-oxabicyclo[7.1.0]dec-3-ene
SMILESC1=C\CC2OC2CCCC/1
InChIInChI=1S/C9H14O/c1-2-4-6-8-9(10-8)7-5-3-1/h2,4,8-9H,1,3,5-7H2/b4-2-
InChIKeyHZNUUGHXKZSKFL-RQOWECAXSA-N
XLogP2.27
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-oxabicyclo[6.1.0]non-3-ene
CID 548984
(8Z)-17-oxabicyclo[14.1.0]heptadec-8-ene
CID 19838536
(16S)-17-oxabicyclo[14.1.0]heptadec-8-ene
CID 173496111
(1S,6R)-7-oxabicyclo[4.1.0]heptane
CID 637978
(6R)-7,15-dioxatricyclo[12.1.0.06,8]pentadecane
CID 122419523
(1S,4S,6R,10R)-5,11-dioxatricyclo[8.1.0.04,6]undecane
CID 7098824
5,11-dioxatricyclo[8.1.0.04,6]undecane
CID 3319750
25-oxabicyclo[22.1.0]pentacosane
CID 156633217
7,15-dioxatricyclo[12.1.0.06,8]pentadecane
CID 88907444
(1R,3R,5S,10R)-4,11-dioxatricyclo[8.1.0.03,5]undec-7-ene
CID 95565085
sodium;hydride;7-oxabicyclo[4.1.0]heptane
CID 173104764
ethane;7-oxabicyclo[4.1.0]heptane
CID 91307792

Frequently Asked Questions

What is the IUPAC name of (3Z)-10-oxabicyclo[7.1.0]dec-3-ene?
The IUPAC name of (3Z)-10-oxabicyclo[7.1.0]dec-3-ene (CID 12742771) is (3Z)-10-oxabicyclo[7.1.0]dec-3-ene.
What is the SMILES notation for (3Z)-10-oxabicyclo[7.1.0]dec-3-ene?
The canonical SMILES for (3Z)-10-oxabicyclo[7.1.0]dec-3-ene is C1=C\CC2OC2CCCC/1.
What is the InChIKey of (3Z)-10-oxabicyclo[7.1.0]dec-3-ene?
The InChIKey is HZNUUGHXKZSKFL-RQOWECAXSA-N. The full InChI is InChI=1S/C9H14O/c1-2-4-6-8-9(10-8)7-5-3-1/h2,4,8-9H,1,3,5-7H2/b4-2-.
What are the key properties of (3Z)-10-oxabicyclo[7.1.0]dec-3-ene?
(3Z)-10-oxabicyclo[7.1.0]dec-3-ene has a molecular weight of 138.21 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-10-oxabicyclo[7.1.0]dec-3-ene is sourced from PubChem (CID 12742771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).