[(E)-5-cyclopentylpent-4-enyl]benzene;(Z)-N-ethylhept-5-enamide;tris(oxan-2-ol)

C40H69NO7 — CID 145386549

IUPAC[(E)-5-cyclopentylpent-4-enyl]benzene;(Z)-N-ethylhept-5-enamide;tris(oxan-2-ol)
SMILESC(=C/C1CCCC1)\CCCc1ccccc1.C/C=C\CCCC(=O)NCC.OC1CCCCO1.OC1CCCCO1.OC1CCCCO1
InChIInChI=1S/C16H22.C9H17NO.3C5H10O2/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;3*6-5-3-1-2-4-7-5/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);3*5-6H,1-4H2/b12-6+;5-3-;;;
InChIKeyKQISCWAOVANKQW-KCNAMTLISA-N
MW675.99 g/mol
LogP8.14
Rot. Bonds10

About [(E)-5-cyclopentylpent-4-enyl]benzene;(Z)-N-ethylhept-5-enamide;tris(oxan-2-ol)

[(E)-5-cyclopentylpent-4-enyl]benzene;(Z)-N-ethylhept-5-enamide;tris(oxan-2-ol) (PubChem CID 145386549) has the molecular formula C40H69NO7 and a molecular weight of 675.99 g/mol. Its IUPAC name is [(E)-5-cyclopentylpent-4-enyl]benzene;(Z)-N-ethylhept-5-enamide;tris(oxan-2-ol).

Molecular Properties

Compound Name[(E)-5-cyclopentylpent-4-enyl]benzene;(Z)-N-ethylhept-5-enamide;tris(oxan-2-ol)
PubChem CID145386549
Molecular FormulaC40H69NO7
Molecular Weight675.99 g/mol
Exact Mass675.51
IUPAC Name[(E)-5-cyclopentylpent-4-enyl]benzene;(Z)-N-ethylhept-5-enamide;tris(oxan-2-ol)
SMILESC(=C/C1CCCC1)\CCCc1ccccc1.C/C=C\CCCC(=O)NCC.OC1CCCCO1.OC1CCCCO1.OC1CCCCO1
InChIInChI=1S/C16H22.C9H17NO.3C5H10O2/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;3*6-5-3-1-2-4-7-5/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);3*5-6H,1-4H2/b12-6+;5-3-;;;
InChIKeyKQISCWAOVANKQW-KCNAMTLISA-N
XLogP8.14
TPSA117.48 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.99
LogP ≤ 58.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(Z)-N-ethylhept-5-enamide;2-[(E)-5-phenylpent-1-enyl]cyclopentan-1-ol
CID 144501828
[(E)-5-cyclohexylpent-4-enyl]benzene;methanol;propan-2-yl (Z)-hept-5-enoate
CID 143896573
[(E)-5-cyclopentylpent-4-enyl]benzene;ethane;bis(1-ethoxyethanol);(Z)-hept-5-enoic acid
CID 145386551
(Z)-7-[(1S,2S,3S,5R)-3,5-dihydroxy-2-[(E)-5-phenylpent-1-enyl]cyclopentyl]-N-ethylhept-5-enamide
CID 174048671
[(E)-5-cyclopentylpent-4-enyl]benzene;ethane;(Z,7Z)-7-ethylidene-8,9-dimethylundec-2-ene;propane
CID 143889008
[(E)-1-cyclopentyl-5-phenylpent-1-en-3-yl] 6-nitrooxyhexanoate;(Z)-N-ethylhept-5-enamide
CID 164855443
2-[(E)-5-phenylpent-1-enyl]oxane
CID 10242966
(Z)-N-ethylhept-5-enamide;6-ethyl-1-phenyloctan-3-one
CID 142233092
N-ethyl-6-phenylhexanamide
CID 70953257
7-[(1R,2R,3R,5S)-3,5-bis(oxan-2-yloxy)-2-[(3S)-3-(oxan-2-yloxy)-5-phenylpent-1-enyl]cyclopentyl]-N-ethylhept-5-enamide
CID 91115929
(Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxan-2-yloxy)-2-[2-[2-(2-phenylethyl)-1,3-dioxolan-2-yl]ethyl]cyclopentyl]-N-ethylhept-5-enamide
CID 58657879
7-[(1R,2S,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethylhept-5-enamide
CID 123932006

Frequently Asked Questions

What is the IUPAC name of [(E)-5-cyclopentylpent-4-enyl]benzene;(Z)-N-ethylhept-5-enamide;tris(oxan-2-ol)?
The IUPAC name of [(E)-5-cyclopentylpent-4-enyl]benzene;(Z)-N-ethylhept-5-enamide;tris(oxan-2-ol) (CID 145386549) is [(E)-5-cyclopentylpent-4-enyl]benzene;(Z)-N-ethylhept-5-enamide;tris(oxan-2-ol).
What is the SMILES notation for [(E)-5-cyclopentylpent-4-enyl]benzene;(Z)-N-ethylhept-5-enamide;tris(oxan-2-ol)?
The canonical SMILES for [(E)-5-cyclopentylpent-4-enyl]benzene;(Z)-N-ethylhept-5-enamide;tris(oxan-2-ol) is C(=C/C1CCCC1)\CCCc1ccccc1.C/C=C\CCCC(=O)NCC.OC1CCCCO1.OC1CCCCO1.OC1CCCCO1.
What is the InChIKey of [(E)-5-cyclopentylpent-4-enyl]benzene;(Z)-N-ethylhept-5-enamide;tris(oxan-2-ol)?
The InChIKey is KQISCWAOVANKQW-KCNAMTLISA-N. The full InChI is InChI=1S/C16H22.C9H17NO.3C5H10O2/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;3*6-5-3-1-2-4-7-5/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);3*5-6H,1-4H2/b12-6+;5-3-;;;.
What are the key properties of [(E)-5-cyclopentylpent-4-enyl]benzene;(Z)-N-ethylhept-5-enamide;tris(oxan-2-ol)?
[(E)-5-cyclopentylpent-4-enyl]benzene;(Z)-N-ethylhept-5-enamide;tris(oxan-2-ol) has a molecular weight of 675.99 g/mol, XLogP of 8.14, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-cyclopentylpent-4-enyl]benzene;(Z)-N-ethylhept-5-enamide;tris(oxan-2-ol) is sourced from PubChem (CID 145386549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).