[(4S,5S)-5-phenylocta-1,7-dien-4-yl]benzene

C20H22 — CID 97429057

IUPAC[(4S,5S)-5-phenylocta-1,7-dien-4-yl]benzene
SMILESC=CC[C@H](c1ccccc1)[C@H](CC=C)c1ccccc1
InChIInChI=1S/C20H22/c1-3-11-19(17-13-7-5-8-14-17)20(12-4-2)18-15-9-6-10-16-18/h3-10,13-16,19-20H,1-2,11-12H2/t19-,20-/m1/s1
InChIKeyICHCZSRMJBBXSJ-WOJBJXKFSA-N
MW262.40 g/mol
LogP5.71
Rot. Bonds7

About [(4S,5S)-5-phenylocta-1,7-dien-4-yl]benzene

[(4S,5S)-5-phenylocta-1,7-dien-4-yl]benzene (PubChem CID 97429057) has the molecular formula C20H22 and a molecular weight of 262.40 g/mol. Its IUPAC name is [(4S,5S)-5-phenylocta-1,7-dien-4-yl]benzene.

Molecular Properties

Compound Name[(4S,5S)-5-phenylocta-1,7-dien-4-yl]benzene
PubChem CID97429057
Molecular FormulaC20H22
Molecular Weight262.40 g/mol
Exact Mass262.17
IUPAC Name[(4S,5S)-5-phenylocta-1,7-dien-4-yl]benzene
SMILESC=CC[C@H](c1ccccc1)[C@H](CC=C)c1ccccc1
InChIInChI=1S/C20H22/c1-3-11-19(17-13-7-5-8-14-17)20(12-4-2)18-15-9-6-10-16-18/h3-10,13-16,19-20H,1-2,11-12H2/t19-,20-/m1/s1
InChIKeyICHCZSRMJBBXSJ-WOJBJXKFSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.40
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1-ethenyl-2-phenylpent-4-enyl)benzene
CID 175560840
(2S,3R)-3-phenylhex-5-en-2-ol
CID 129363226
3-phenylhexa-1,5-dien-2-ol
CID 173444348
5-phenylhept-1-en-4-amine
CID 115814558
(1-iodo-2-prop-2-enylpent-4-enyl)benzene
CID 141223385
N-(1,2-diphenylpent-4-enyl)benzamide
CID 2794125
(2S)-1,1-diphenylpent-4-en-2-ol
CID 11390776
1-phenyl-2-prop-2-enylpent-4-en-1-amine;hydrochloride
CID 173005036
1-phenylbut-3-enylhydrazine
CID 105199312
(3S)-3-phenylhex-5-enal
CID 11229081
(2R,3S)-2-phenylhex-5-en-3-ol
CID 12633863
4,6-diphenylnona-1,8-dien-5-one
CID 69419927

Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-5-phenylocta-1,7-dien-4-yl]benzene?
The IUPAC name of [(4S,5S)-5-phenylocta-1,7-dien-4-yl]benzene (CID 97429057) is [(4S,5S)-5-phenylocta-1,7-dien-4-yl]benzene.
What is the SMILES notation for [(4S,5S)-5-phenylocta-1,7-dien-4-yl]benzene?
The canonical SMILES for [(4S,5S)-5-phenylocta-1,7-dien-4-yl]benzene is C=CC[C@H](c1ccccc1)[C@H](CC=C)c1ccccc1.
What is the InChIKey of [(4S,5S)-5-phenylocta-1,7-dien-4-yl]benzene?
The InChIKey is ICHCZSRMJBBXSJ-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H22/c1-3-11-19(17-13-7-5-8-14-17)20(12-4-2)18-15-9-6-10-16-18/h3-10,13-16,19-20H,1-2,11-12H2/t19-,20-/m1/s1.
What are the key properties of [(4S,5S)-5-phenylocta-1,7-dien-4-yl]benzene?
[(4S,5S)-5-phenylocta-1,7-dien-4-yl]benzene has a molecular weight of 262.40 g/mol, XLogP of 5.71, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-5-phenylocta-1,7-dien-4-yl]benzene is sourced from PubChem (CID 97429057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).