[(E)-5-cyclopentylpent-4-enyl]benzene;(Z)-N-ethylhept-5-enamide;methane;methanol

C27H47NO2 — CID 142437798

IUPAC[(E)-5-cyclopentylpent-4-enyl]benzene;(Z)-N-ethylhept-5-enamide;methane;methanol
SMILESC.C(=C/C1CCCC1)\CCCc1ccccc1.C/C=C\CCCC(=O)NCC.CO
InChIInChI=1S/C16H22.C9H17NO.CH4O.CH4/c1-3-9-15(10-4-1)11-5-2-6-12-16-13-7-8-14-16;1-3-5-6-7-8-9(11)10-4-2;1-2;/h1,3-4,6,9-10,12,16H,2,5,7-8,11,13-14H2;3,5H,4,6-8H2,1-2H3,(H,10,11);2H,1H3;1H4/b12-6+;5-3-;;
InChIKeyKPGJWJYHRSIVBV-ADRKZRPGSA-N
MW417.68 g/mol
LogP6.87
Rot. Bonds10

About [(E)-5-cyclopentylpent-4-enyl]benzene;(Z)-N-ethylhept-5-enamide;methane;methanol

[(E)-5-cyclopentylpent-4-enyl]benzene;(Z)-N-ethylhept-5-enamide;methane;methanol (PubChem CID 142437798) has the molecular formula C27H47NO2 and a molecular weight of 417.68 g/mol. Its IUPAC name is [(E)-5-cyclopentylpent-4-enyl]benzene;(Z)-N-ethylhept-5-enamide;methane;methanol.

Molecular Properties

Compound Name[(E)-5-cyclopentylpent-4-enyl]benzene;(Z)-N-ethylhept-5-enamide;methane;methanol
PubChem CID142437798
Molecular FormulaC27H47NO2
Molecular Weight417.68 g/mol
Exact Mass417.36
IUPAC Name[(E)-5-cyclopentylpent-4-enyl]benzene;(Z)-N-ethylhept-5-enamide;methane;methanol
SMILESC.C(=C/C1CCCC1)\CCCc1ccccc1.C/C=C\CCCC(=O)NCC.CO
InChIInChI=1S/C16H22.C9H17NO.CH4O.CH4/c1-3-9-15(10-4-1)11-5-2-6-12-16-13-7-8-14-16;1-3-5-6-7-8-9(11)10-4-2;1-2;/h1,3-4,6,9-10,12,16H,2,5,7-8,11,13-14H2;3,5H,4,6-8H2,1-2H3,(H,10,11);2H,1H3;1H4/b12-6+;5-3-;;
InChIKeyKPGJWJYHRSIVBV-ADRKZRPGSA-N
XLogP6.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.68
LogP ≤ 56.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-5-cyclopentylpent-4-enyl]benzene;(Z)-N-ethylhept-5-enamide;methane;methanol?
The IUPAC name of [(E)-5-cyclopentylpent-4-enyl]benzene;(Z)-N-ethylhept-5-enamide;methane;methanol (CID 142437798) is [(E)-5-cyclopentylpent-4-enyl]benzene;(Z)-N-ethylhept-5-enamide;methane;methanol.
What is the SMILES notation for [(E)-5-cyclopentylpent-4-enyl]benzene;(Z)-N-ethylhept-5-enamide;methane;methanol?
The canonical SMILES for [(E)-5-cyclopentylpent-4-enyl]benzene;(Z)-N-ethylhept-5-enamide;methane;methanol is C.C(=C/C1CCCC1)\CCCc1ccccc1.C/C=C\CCCC(=O)NCC.CO.
What is the InChIKey of [(E)-5-cyclopentylpent-4-enyl]benzene;(Z)-N-ethylhept-5-enamide;methane;methanol?
The InChIKey is KPGJWJYHRSIVBV-ADRKZRPGSA-N. The full InChI is InChI=1S/C16H22.C9H17NO.CH4O.CH4/c1-3-9-15(10-4-1)11-5-2-6-12-16-13-7-8-14-16;1-3-5-6-7-8-9(11)10-4-2;1-2;/h1,3-4,6,9-10,12,16H,2,5,7-8,11,13-14H2;3,5H,4,6-8H2,1-2H3,(H,10,11);2H,1H3;1H4/b12-6+;5-3-;;.
What are the key properties of [(E)-5-cyclopentylpent-4-enyl]benzene;(Z)-N-ethylhept-5-enamide;methane;methanol?
[(E)-5-cyclopentylpent-4-enyl]benzene;(Z)-N-ethylhept-5-enamide;methane;methanol has a molecular weight of 417.68 g/mol, XLogP of 6.87, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-cyclopentylpent-4-enyl]benzene;(Z)-N-ethylhept-5-enamide;methane;methanol is sourced from PubChem (CID 142437798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).