[(3Z)-5-phenylocta-3,7-dien-1-ynyl]benzene

C20H18 — CID 66553425

IUPAC[(3Z)-5-phenylocta-3,7-dien-1-ynyl]benzene
SMILESC=CCC(/C=C\C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H18/c1-2-11-19(20-15-7-4-8-16-20)17-10-9-14-18-12-5-3-6-13-18/h2-8,10,12-13,15-17,19H,1,11H2/b17-10-
InChIKeyRRAWXIOMCRAYGL-YVLHZVERSA-N
MW258.36 g/mol
LogP4.95
Rot. Bonds4

About [(3Z)-5-phenylocta-3,7-dien-1-ynyl]benzene

[(3Z)-5-phenylocta-3,7-dien-1-ynyl]benzene (PubChem CID 66553425) has the molecular formula C20H18 and a molecular weight of 258.36 g/mol. Its IUPAC name is [(3Z)-5-phenylocta-3,7-dien-1-ynyl]benzene.

Molecular Properties

Compound Name[(3Z)-5-phenylocta-3,7-dien-1-ynyl]benzene
PubChem CID66553425
Molecular FormulaC20H18
Molecular Weight258.36 g/mol
Exact Mass258.14
IUPAC Name[(3Z)-5-phenylocta-3,7-dien-1-ynyl]benzene
SMILESC=CCC(/C=C\C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H18/c1-2-11-19(20-15-7-4-8-16-20)17-10-9-14-18-12-5-3-6-13-18/h2-8,10,12-13,15-17,19H,1,11H2/b17-10-
InChIKeyRRAWXIOMCRAYGL-YVLHZVERSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-phenylhex-5-en-1-yn-3-ylbenzene
CID 11183874
[(4S,5S)-5-phenylocta-1,7-dien-4-yl]benzene
CID 97429057
1-(3-phenylhexa-1,5-dienyl)-4-(trifluoromethyl)benzene
CID 71390384
[(Z)-4-chlorobut-3-en-1-ynyl]benzene
CID 11126589
N,N-diethyl-1-phenylhex-5-en-1-yn-3-amine
CID 4266736
(E)-5-phenylpent-2-en-4-ynenitrile
CID 102085204
3-phenylpent-4-enenitrile
CID 14767512
trimethyl-[5-phenyl-3-(2-trimethylsilylethynyl)octa-3,7-dien-1-ynyl]silane
CID 11100223
N,N-dimethyl-4-(1-phenylhexa-1,5-dien-3-yl)aniline
CID 71390388
(1-iodo-2-prop-2-enylpent-4-enyl)benzene
CID 141223385
6-phenylhex-3-en-5-yn-1-ol
CID 131872035
trimethyl-[(Z)-5-phenylpent-2-en-4-ynyl]silane
CID 11356347

Frequently Asked Questions

What is the IUPAC name of [(3Z)-5-phenylocta-3,7-dien-1-ynyl]benzene?
The IUPAC name of [(3Z)-5-phenylocta-3,7-dien-1-ynyl]benzene (CID 66553425) is [(3Z)-5-phenylocta-3,7-dien-1-ynyl]benzene.
What is the SMILES notation for [(3Z)-5-phenylocta-3,7-dien-1-ynyl]benzene?
The canonical SMILES for [(3Z)-5-phenylocta-3,7-dien-1-ynyl]benzene is C=CCC(/C=C\C#Cc1ccccc1)c1ccccc1.
What is the InChIKey of [(3Z)-5-phenylocta-3,7-dien-1-ynyl]benzene?
The InChIKey is RRAWXIOMCRAYGL-YVLHZVERSA-N. The full InChI is InChI=1S/C20H18/c1-2-11-19(20-15-7-4-8-16-20)17-10-9-14-18-12-5-3-6-13-18/h2-8,10,12-13,15-17,19H,1,11H2/b17-10-.
What are the key properties of [(3Z)-5-phenylocta-3,7-dien-1-ynyl]benzene?
[(3Z)-5-phenylocta-3,7-dien-1-ynyl]benzene has a molecular weight of 258.36 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-5-phenylocta-3,7-dien-1-ynyl]benzene is sourced from PubChem (CID 66553425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).