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

C26H43NO2 — CID 145386548

IUPAC[(E)-5-cyclopentylpent-4-enyl]benzene;(Z)-N-ethylhept-5-enamide;methanol
SMILESC(=C/C1CCCC1)\CCCc1ccccc1.C/C=C\CCCC(=O)NCC.CO
InChIInChI=1S/C16H22.C9H17NO.CH4O/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/b12-6+;5-3-;
InChIKeyCWGWHUSRORBPMU-DDYALAOTSA-N
MW401.64 g/mol
LogP6.23
Rot. Bonds10

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

[(E)-5-cyclopentylpent-4-enyl]benzene;(Z)-N-ethylhept-5-enamide;methanol (PubChem CID 145386548) has the molecular formula C26H43NO2 and a molecular weight of 401.64 g/mol. Its IUPAC name is [(E)-5-cyclopentylpent-4-enyl]benzene;(Z)-N-ethylhept-5-enamide;methanol.

Molecular Properties

Compound Name[(E)-5-cyclopentylpent-4-enyl]benzene;(Z)-N-ethylhept-5-enamide;methanol
PubChem CID145386548
Molecular FormulaC26H43NO2
Molecular Weight401.64 g/mol
Exact Mass401.33
IUPAC Name[(E)-5-cyclopentylpent-4-enyl]benzene;(Z)-N-ethylhept-5-enamide;methanol
SMILESC(=C/C1CCCC1)\CCCc1ccccc1.C/C=C\CCCC(=O)NCC.CO
InChIInChI=1S/C16H22.C9H17NO.CH4O/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/b12-6+;5-3-;
InChIKeyCWGWHUSRORBPMU-DDYALAOTSA-N
XLogP6.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.64
LogP ≤ 56.23
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;methanol?
The IUPAC name of [(E)-5-cyclopentylpent-4-enyl]benzene;(Z)-N-ethylhept-5-enamide;methanol (CID 145386548) is [(E)-5-cyclopentylpent-4-enyl]benzene;(Z)-N-ethylhept-5-enamide;methanol.
What is the SMILES notation for [(E)-5-cyclopentylpent-4-enyl]benzene;(Z)-N-ethylhept-5-enamide;methanol?
The canonical SMILES for [(E)-5-cyclopentylpent-4-enyl]benzene;(Z)-N-ethylhept-5-enamide;methanol is 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;methanol?
The InChIKey is CWGWHUSRORBPMU-DDYALAOTSA-N. The full InChI is InChI=1S/C16H22.C9H17NO.CH4O/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/b12-6+;5-3-;.
What are the key properties of [(E)-5-cyclopentylpent-4-enyl]benzene;(Z)-N-ethylhept-5-enamide;methanol?
[(E)-5-cyclopentylpent-4-enyl]benzene;(Z)-N-ethylhept-5-enamide;methanol has a molecular weight of 401.64 g/mol, XLogP of 6.23, 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;methanol is sourced from PubChem (CID 145386548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).