[(5Z)-2,6,10,10-tetramethyl-3-bicyclo[7.2.0]undec-5-enyl] acetate

C17H28O2 — CID 56843109

IUPAC[(5Z)-2,6,10,10-tetramethyl-3-bicyclo[7.2.0]undec-5-enyl] acetate
SMILESCC(=O)OC1C/C=C(/C)CCC2C(CC2(C)C)C1C
InChIInChI=1S/C17H28O2/c1-11-6-8-15-14(10-17(15,4)5)12(2)16(9-7-11)19-13(3)18/h7,12,14-16H,6,8-10H2,1-5H3/b11-7-
InChIKeyKHMKMDPIRWLYKU-XFFZJAGNSA-N
MW264.41 g/mol
LogP4.35
Rot. Bonds1

About [(5Z)-2,6,10,10-tetramethyl-3-bicyclo[7.2.0]undec-5-enyl] acetate

[(5Z)-2,6,10,10-tetramethyl-3-bicyclo[7.2.0]undec-5-enyl] acetate (PubChem CID 56843109) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is [(5Z)-2,6,10,10-tetramethyl-3-bicyclo[7.2.0]undec-5-enyl] acetate.

Molecular Properties

Compound Name[(5Z)-2,6,10,10-tetramethyl-3-bicyclo[7.2.0]undec-5-enyl] acetate
PubChem CID56843109
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name[(5Z)-2,6,10,10-tetramethyl-3-bicyclo[7.2.0]undec-5-enyl] acetate
SMILESCC(=O)OC1C/C=C(/C)CCC2C(CC2(C)C)C1C
InChIInChI=1S/C17H28O2/c1-11-6-8-15-14(10-17(15,4)5)12(2)16(9-7-11)19-13(3)18/h7,12,14-16H,6,8-10H2,1-5H3/b11-7-
InChIKeyKHMKMDPIRWLYKU-XFFZJAGNSA-N
XLogP4.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.35
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 [(5Z)-2,6,10,10-tetramethyl-3-bicyclo[7.2.0]undec-5-enyl] acetate?
The IUPAC name of [(5Z)-2,6,10,10-tetramethyl-3-bicyclo[7.2.0]undec-5-enyl] acetate (CID 56843109) is [(5Z)-2,6,10,10-tetramethyl-3-bicyclo[7.2.0]undec-5-enyl] acetate.
What is the SMILES notation for [(5Z)-2,6,10,10-tetramethyl-3-bicyclo[7.2.0]undec-5-enyl] acetate?
The canonical SMILES for [(5Z)-2,6,10,10-tetramethyl-3-bicyclo[7.2.0]undec-5-enyl] acetate is CC(=O)OC1C/C=C(/C)CCC2C(CC2(C)C)C1C.
What is the InChIKey of [(5Z)-2,6,10,10-tetramethyl-3-bicyclo[7.2.0]undec-5-enyl] acetate?
The InChIKey is KHMKMDPIRWLYKU-XFFZJAGNSA-N. The full InChI is InChI=1S/C17H28O2/c1-11-6-8-15-14(10-17(15,4)5)12(2)16(9-7-11)19-13(3)18/h7,12,14-16H,6,8-10H2,1-5H3/b11-7-.
What are the key properties of [(5Z)-2,6,10,10-tetramethyl-3-bicyclo[7.2.0]undec-5-enyl] acetate?
[(5Z)-2,6,10,10-tetramethyl-3-bicyclo[7.2.0]undec-5-enyl] acetate has a molecular weight of 264.41 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5Z)-2,6,10,10-tetramethyl-3-bicyclo[7.2.0]undec-5-enyl] acetate is sourced from PubChem (CID 56843109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).