(5E)-6,10-dimethyl-3-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-5-en-2-one

C15H22O2 — CID 171346100

IUPAC(5E)-6,10-dimethyl-3-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-5-en-2-one
SMILESCC(C)=C1C/C=C(\C)CCCC2(C)OC2C1=O
InChIInChI=1S/C15H22O2/c1-10(2)12-8-7-11(3)6-5-9-15(4)14(17-15)13(12)16/h7,14H,5-6,8-9H2,1-4H3/b11-7+
InChIKeyUCBLSCIHQSOMOY-YRNVUSSQSA-N
MW234.34 g/mol
LogP3.57
Rot. Bonds

About (5E)-6,10-dimethyl-3-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-5-en-2-one

(5E)-6,10-dimethyl-3-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-5-en-2-one (PubChem CID 171346100) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (5E)-6,10-dimethyl-3-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-5-en-2-one.

Molecular Properties

Compound Name(5E)-6,10-dimethyl-3-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-5-en-2-one
PubChem CID171346100
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(5E)-6,10-dimethyl-3-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-5-en-2-one
SMILESCC(C)=C1C/C=C(\C)CCCC2(C)OC2C1=O
InChIInChI=1S/C15H22O2/c1-10(2)12-8-7-11(3)6-5-9-15(4)14(17-15)13(12)16/h7,14H,5-6,8-9H2,1-4H3/b11-7+
InChIKeyUCBLSCIHQSOMOY-YRNVUSSQSA-N
XLogP3.57
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-6,10-dimethyl-3-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-5-en-2-one?
The IUPAC name of (5E)-6,10-dimethyl-3-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-5-en-2-one (CID 171346100) is (5E)-6,10-dimethyl-3-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-5-en-2-one.
What is the SMILES notation for (5E)-6,10-dimethyl-3-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-5-en-2-one?
The canonical SMILES for (5E)-6,10-dimethyl-3-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-5-en-2-one is CC(C)=C1C/C=C(\C)CCCC2(C)OC2C1=O.
What is the InChIKey of (5E)-6,10-dimethyl-3-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-5-en-2-one?
The InChIKey is UCBLSCIHQSOMOY-YRNVUSSQSA-N. The full InChI is InChI=1S/C15H22O2/c1-10(2)12-8-7-11(3)6-5-9-15(4)14(17-15)13(12)16/h7,14H,5-6,8-9H2,1-4H3/b11-7+.
What are the key properties of (5E)-6,10-dimethyl-3-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-5-en-2-one?
(5E)-6,10-dimethyl-3-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-5-en-2-one has a molecular weight of 234.34 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-6,10-dimethyl-3-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-5-en-2-one is sourced from PubChem (CID 171346100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).