[(E)-5-(cyclopenten-1-yl)-3,3-dimethylpent-1-en-4-ynyl]benzene

C18H20 — CID 102046787

IUPAC[(E)-5-(cyclopenten-1-yl)-3,3-dimethylpent-1-en-4-ynyl]benzene
SMILESCC(C)(C#CC1=CCCC1)/C=C/c1ccccc1
InChIInChI=1S/C18H20/c1-18(2,15-13-17-10-6-7-11-17)14-12-16-8-4-3-5-9-16/h3-5,8-10,12,14H,6-7,11H2,1-2H3/b14-12+
InChIKeyHYTRTMJTHYZTRJ-WYMLVPIESA-N
MW236.36 g/mol
LogP4.84
Rot. Bonds2

About [(E)-5-(cyclopenten-1-yl)-3,3-dimethylpent-1-en-4-ynyl]benzene

[(E)-5-(cyclopenten-1-yl)-3,3-dimethylpent-1-en-4-ynyl]benzene (PubChem CID 102046787) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is [(E)-5-(cyclopenten-1-yl)-3,3-dimethylpent-1-en-4-ynyl]benzene.

Molecular Properties

Compound Name[(E)-5-(cyclopenten-1-yl)-3,3-dimethylpent-1-en-4-ynyl]benzene
PubChem CID102046787
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name[(E)-5-(cyclopenten-1-yl)-3,3-dimethylpent-1-en-4-ynyl]benzene
SMILESCC(C)(C#CC1=CCCC1)/C=C/c1ccccc1
InChIInChI=1S/C18H20/c1-18(2,15-13-17-10-6-7-11-17)14-12-16-8-4-3-5-9-16/h3-5,8-10,12,14H,6-7,11H2,1-2H3/b14-12+
InChIKeyHYTRTMJTHYZTRJ-WYMLVPIESA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(cyclohexen-1-yl)-1,5-diphenylpent-1-en-4-yn-3-ol
CID 11522533
(E)-2,2-dimethyl-4-(4-phenylphenyl)but-3-enenitrile
CID 146167998
3-benzylidene-5-(cyclohexen-1-yl)pent-4-yn-2-one
CID 141303782
tert-butyl N-[2-(cyclohexen-1-yl)ethynyl]-N-phenylcarbamate
CID 165179795
benzene;but-1-enylbenzene
CID 157481332
3,3-dicyclopropylbut-1-enylbenzene
CID 173296746
(Z)-3-methyl-1-phenylpent-1-en-3-ol
CID 20841410
3,3-dimethylbut-1-enylbenzene;1,2-xylene
CID 173385889
2-[(E)-2-phenylethenyl]cyclododec-2-en-1-one
CID 134950762
(E)-4-phenyl-2-trimethylsilylbut-3-en-2-ol
CID 102406299
2-(cyclopenten-1-yl)ethylbenzene
CID 57211956
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368

Frequently Asked Questions

What is the IUPAC name of [(E)-5-(cyclopenten-1-yl)-3,3-dimethylpent-1-en-4-ynyl]benzene?
The IUPAC name of [(E)-5-(cyclopenten-1-yl)-3,3-dimethylpent-1-en-4-ynyl]benzene (CID 102046787) is [(E)-5-(cyclopenten-1-yl)-3,3-dimethylpent-1-en-4-ynyl]benzene.
What is the SMILES notation for [(E)-5-(cyclopenten-1-yl)-3,3-dimethylpent-1-en-4-ynyl]benzene?
The canonical SMILES for [(E)-5-(cyclopenten-1-yl)-3,3-dimethylpent-1-en-4-ynyl]benzene is CC(C)(C#CC1=CCCC1)/C=C/c1ccccc1.
What is the InChIKey of [(E)-5-(cyclopenten-1-yl)-3,3-dimethylpent-1-en-4-ynyl]benzene?
The InChIKey is HYTRTMJTHYZTRJ-WYMLVPIESA-N. The full InChI is InChI=1S/C18H20/c1-18(2,15-13-17-10-6-7-11-17)14-12-16-8-4-3-5-9-16/h3-5,8-10,12,14H,6-7,11H2,1-2H3/b14-12+.
What are the key properties of [(E)-5-(cyclopenten-1-yl)-3,3-dimethylpent-1-en-4-ynyl]benzene?
[(E)-5-(cyclopenten-1-yl)-3,3-dimethylpent-1-en-4-ynyl]benzene has a molecular weight of 236.36 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-(cyclopenten-1-yl)-3,3-dimethylpent-1-en-4-ynyl]benzene is sourced from PubChem (CID 102046787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).