4-[(Z)-hex-4-en-2-yl]-1-methyl-7-oxabicyclo[4.1.0]heptane

C13H22O — CID 89297886

IUPAC4-[(Z)-hex-4-en-2-yl]-1-methyl-7-oxabicyclo[4.1.0]heptane
SMILESC/C=C\CC(C)C1CCC2(C)OC2C1
InChIInChI=1S/C13H22O/c1-4-5-6-10(2)11-7-8-13(3)12(9-11)14-13/h4-5,10-12H,6-9H2,1-3H3/b5-4-
InChIKeyKQGXHPPPKNDLBF-PLNGDYQASA-N
MW194.32 g/mol
LogP3.55
Rot. Bonds3

About 4-[(Z)-hex-4-en-2-yl]-1-methyl-7-oxabicyclo[4.1.0]heptane

4-[(Z)-hex-4-en-2-yl]-1-methyl-7-oxabicyclo[4.1.0]heptane (PubChem CID 89297886) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 4-[(Z)-hex-4-en-2-yl]-1-methyl-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name4-[(Z)-hex-4-en-2-yl]-1-methyl-7-oxabicyclo[4.1.0]heptane
PubChem CID89297886
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name4-[(Z)-hex-4-en-2-yl]-1-methyl-7-oxabicyclo[4.1.0]heptane
SMILESC/C=C\CC(C)C1CCC2(C)OC2C1
InChIInChI=1S/C13H22O/c1-4-5-6-10(2)11-7-8-13(3)12(9-11)14-13/h4-5,10-12H,6-9H2,1-3H3/b5-4-
InChIKeyKQGXHPPPKNDLBF-PLNGDYQASA-N
XLogP3.55
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.55
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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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-hex-4-en-2-yl]-1-methyl-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 4-[(Z)-hex-4-en-2-yl]-1-methyl-7-oxabicyclo[4.1.0]heptane (CID 89297886) is 4-[(Z)-hex-4-en-2-yl]-1-methyl-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 4-[(Z)-hex-4-en-2-yl]-1-methyl-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 4-[(Z)-hex-4-en-2-yl]-1-methyl-7-oxabicyclo[4.1.0]heptane is C/C=C\CC(C)C1CCC2(C)OC2C1.
What is the InChIKey of 4-[(Z)-hex-4-en-2-yl]-1-methyl-7-oxabicyclo[4.1.0]heptane?
The InChIKey is KQGXHPPPKNDLBF-PLNGDYQASA-N. The full InChI is InChI=1S/C13H22O/c1-4-5-6-10(2)11-7-8-13(3)12(9-11)14-13/h4-5,10-12H,6-9H2,1-3H3/b5-4-.
What are the key properties of 4-[(Z)-hex-4-en-2-yl]-1-methyl-7-oxabicyclo[4.1.0]heptane?
4-[(Z)-hex-4-en-2-yl]-1-methyl-7-oxabicyclo[4.1.0]heptane has a molecular weight of 194.32 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-hex-4-en-2-yl]-1-methyl-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 89297886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).