(3Z)-3-ethenyl-5-methoxy-4,8,11,11-tetramethylbicyclo[5.3.1]undeca-3,7-dien-2-one

C18H26O2 — CID 11323315

IUPAC(3Z)-3-ethenyl-5-methoxy-4,8,11,11-tetramethylbicyclo[5.3.1]undeca-3,7-dien-2-one
SMILESC=C/C1=C(\C)C(OC)CC2=C(C)CCC(C1=O)C2(C)C
InChIInChI=1S/C18H26O2/c1-7-13-12(3)16(20-6)10-15-11(2)8-9-14(17(13)19)18(15,4)5/h7,14,16H,1,8-10H2,2-6H3/b13-12-
InChIKeyHTVGOAZSCYVEIS-SEYXRHQNSA-N
MW274.40 g/mol
LogP4.23
Rot. Bonds2

About (3Z)-3-ethenyl-5-methoxy-4,8,11,11-tetramethylbicyclo[5.3.1]undeca-3,7-dien-2-one

(3Z)-3-ethenyl-5-methoxy-4,8,11,11-tetramethylbicyclo[5.3.1]undeca-3,7-dien-2-one (PubChem CID 11323315) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is (3Z)-3-ethenyl-5-methoxy-4,8,11,11-tetramethylbicyclo[5.3.1]undeca-3,7-dien-2-one.

Molecular Properties

Compound Name(3Z)-3-ethenyl-5-methoxy-4,8,11,11-tetramethylbicyclo[5.3.1]undeca-3,7-dien-2-one
PubChem CID11323315
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name(3Z)-3-ethenyl-5-methoxy-4,8,11,11-tetramethylbicyclo[5.3.1]undeca-3,7-dien-2-one
SMILESC=C/C1=C(\C)C(OC)CC2=C(C)CCC(C1=O)C2(C)C
InChIInChI=1S/C18H26O2/c1-7-13-12(3)16(20-6)10-15-11(2)8-9-14(17(13)19)18(15,4)5/h7,14,16H,1,8-10H2,2-6H3/b13-12-
InChIKeyHTVGOAZSCYVEIS-SEYXRHQNSA-N
XLogP4.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethenyl-5-methoxy-4,8,11,11-tetramethylbicyclo[5.3.1]undeca-3,7-dien-2-one?
The IUPAC name of (3Z)-3-ethenyl-5-methoxy-4,8,11,11-tetramethylbicyclo[5.3.1]undeca-3,7-dien-2-one (CID 11323315) is (3Z)-3-ethenyl-5-methoxy-4,8,11,11-tetramethylbicyclo[5.3.1]undeca-3,7-dien-2-one.
What is the SMILES notation for (3Z)-3-ethenyl-5-methoxy-4,8,11,11-tetramethylbicyclo[5.3.1]undeca-3,7-dien-2-one?
The canonical SMILES for (3Z)-3-ethenyl-5-methoxy-4,8,11,11-tetramethylbicyclo[5.3.1]undeca-3,7-dien-2-one is C=C/C1=C(\C)C(OC)CC2=C(C)CCC(C1=O)C2(C)C.
What is the InChIKey of (3Z)-3-ethenyl-5-methoxy-4,8,11,11-tetramethylbicyclo[5.3.1]undeca-3,7-dien-2-one?
The InChIKey is HTVGOAZSCYVEIS-SEYXRHQNSA-N. The full InChI is InChI=1S/C18H26O2/c1-7-13-12(3)16(20-6)10-15-11(2)8-9-14(17(13)19)18(15,4)5/h7,14,16H,1,8-10H2,2-6H3/b13-12-.
What are the key properties of (3Z)-3-ethenyl-5-methoxy-4,8,11,11-tetramethylbicyclo[5.3.1]undeca-3,7-dien-2-one?
(3Z)-3-ethenyl-5-methoxy-4,8,11,11-tetramethylbicyclo[5.3.1]undeca-3,7-dien-2-one has a molecular weight of 274.40 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethenyl-5-methoxy-4,8,11,11-tetramethylbicyclo[5.3.1]undeca-3,7-dien-2-one is sourced from PubChem (CID 11323315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).