(6Z)-6,10-dimethyl-11-oxabicyclo[8.1.0]undec-6-en-5-one

C12H18O2 — CID 131850593

IUPAC(6Z)-6,10-dimethyl-11-oxabicyclo[8.1.0]undec-6-en-5-one
SMILESC/C1=C/CCC2(C)OC2CCCC1=O
InChIInChI=1S/C12H18O2/c1-9-5-4-8-12(2)11(14-12)7-3-6-10(9)13/h5,11H,3-4,6-8H2,1-2H3/b9-5-
InChIKeyWRQHCMCBBXETEM-UITAMQMPSA-N
MW194.27 g/mol
LogP2.62
Rot. Bonds

About (6Z)-6,10-dimethyl-11-oxabicyclo[8.1.0]undec-6-en-5-one

(6Z)-6,10-dimethyl-11-oxabicyclo[8.1.0]undec-6-en-5-one (PubChem CID 131850593) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (6Z)-6,10-dimethyl-11-oxabicyclo[8.1.0]undec-6-en-5-one.

Molecular Properties

Compound Name(6Z)-6,10-dimethyl-11-oxabicyclo[8.1.0]undec-6-en-5-one
PubChem CID131850593
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(6Z)-6,10-dimethyl-11-oxabicyclo[8.1.0]undec-6-en-5-one
SMILESC/C1=C/CCC2(C)OC2CCCC1=O
InChIInChI=1S/C12H18O2/c1-9-5-4-8-12(2)11(14-12)7-3-6-10(9)13/h5,11H,3-4,6-8H2,1-2H3/b9-5-
InChIKeyWRQHCMCBBXETEM-UITAMQMPSA-N
XLogP2.62
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6Z)-6,10-dimethyl-11-oxabicyclo[8.1.0]undec-6-en-5-one?
The IUPAC name of (6Z)-6,10-dimethyl-11-oxabicyclo[8.1.0]undec-6-en-5-one (CID 131850593) is (6Z)-6,10-dimethyl-11-oxabicyclo[8.1.0]undec-6-en-5-one.
What is the SMILES notation for (6Z)-6,10-dimethyl-11-oxabicyclo[8.1.0]undec-6-en-5-one?
The canonical SMILES for (6Z)-6,10-dimethyl-11-oxabicyclo[8.1.0]undec-6-en-5-one is C/C1=C/CCC2(C)OC2CCCC1=O.
What is the InChIKey of (6Z)-6,10-dimethyl-11-oxabicyclo[8.1.0]undec-6-en-5-one?
The InChIKey is WRQHCMCBBXETEM-UITAMQMPSA-N. The full InChI is InChI=1S/C12H18O2/c1-9-5-4-8-12(2)11(14-12)7-3-6-10(9)13/h5,11H,3-4,6-8H2,1-2H3/b9-5-.
What are the key properties of (6Z)-6,10-dimethyl-11-oxabicyclo[8.1.0]undec-6-en-5-one?
(6Z)-6,10-dimethyl-11-oxabicyclo[8.1.0]undec-6-en-5-one has a molecular weight of 194.27 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6,10-dimethyl-11-oxabicyclo[8.1.0]undec-6-en-5-one is sourced from PubChem (CID 131850593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).