1-ethyl-4-[(Z)-2-methylidenepent-3-enyl]benzene

C14H18 — CID 144912903

IUPAC1-ethyl-4-[(Z)-2-methylidenepent-3-enyl]benzene
SMILESC=C(/C=C\C)Cc1ccc(CC)cc1
InChIInChI=1S/C14H18/c1-4-6-12(3)11-14-9-7-13(5-2)8-10-14/h4,6-10H,3,5,11H2,1-2H3/b6-4-
InChIKeyHMSMTZGXVMJWOH-XQRVVYSFSA-N
MW186.30 g/mol
LogP3.92
Rot. Bonds4

About 1-ethyl-4-[(Z)-2-methylidenepent-3-enyl]benzene

1-ethyl-4-[(Z)-2-methylidenepent-3-enyl]benzene (PubChem CID 144912903) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-ethyl-4-[(Z)-2-methylidenepent-3-enyl]benzene.

Molecular Properties

Compound Name1-ethyl-4-[(Z)-2-methylidenepent-3-enyl]benzene
PubChem CID144912903
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name1-ethyl-4-[(Z)-2-methylidenepent-3-enyl]benzene
SMILESC=C(/C=C\C)Cc1ccc(CC)cc1
InChIInChI=1S/C14H18/c1-4-6-12(3)11-14-9-7-13(5-2)8-10-14/h4,6-10H,3,5,11H2,1-2H3/b6-4-
InChIKeyHMSMTZGXVMJWOH-XQRVVYSFSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-(2-methylidenebut-3-enyl)benzene;methane;2-methylbut-1-ene
CID 143774858
1-chloro-4-[(Z)-2-methylidenehex-3-enyl]benzene
CID 145377357
1-ethyl-4-[(3E,5Z)-4-ethylhepta-1,3,5-trien-3-yl]benzene
CID 143819695
1-ethyl-4-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]benzene
CID 142017395
1,4-diethylbenzene;ethane
CID 91207141
alumane;1,4-diethylbenzene
CID 174296012
1-ethynyl-4-[(3E)-2-methylidene-5-[(4-methylphenyl)methyl]hexa-3,5-dienyl]benzene
CID 159671138
1-ethyl-4-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]benzene;methane
CID 142017394
acetylene;1-ethyl-4-[(2E,4Z)-3-fluorohexa-2,4-dienyl]benzene
CID 145118149
[(E)-3-methylidenehex-4-enyl]benzene
CID 15074252
(E)-1-(4-ethylphenyl)hex-3-en-2-one
CID 103454382
1,4-bis(4-ethylphenyl)benzene;bis(2-methylbuta-1,3-diene)
CID 145217101

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(Z)-2-methylidenepent-3-enyl]benzene?
The IUPAC name of 1-ethyl-4-[(Z)-2-methylidenepent-3-enyl]benzene (CID 144912903) is 1-ethyl-4-[(Z)-2-methylidenepent-3-enyl]benzene.
What is the SMILES notation for 1-ethyl-4-[(Z)-2-methylidenepent-3-enyl]benzene?
The canonical SMILES for 1-ethyl-4-[(Z)-2-methylidenepent-3-enyl]benzene is C=C(/C=C\C)Cc1ccc(CC)cc1.
What is the InChIKey of 1-ethyl-4-[(Z)-2-methylidenepent-3-enyl]benzene?
The InChIKey is HMSMTZGXVMJWOH-XQRVVYSFSA-N. The full InChI is InChI=1S/C14H18/c1-4-6-12(3)11-14-9-7-13(5-2)8-10-14/h4,6-10H,3,5,11H2,1-2H3/b6-4-.
What are the key properties of 1-ethyl-4-[(Z)-2-methylidenepent-3-enyl]benzene?
1-ethyl-4-[(Z)-2-methylidenepent-3-enyl]benzene has a molecular weight of 186.30 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(Z)-2-methylidenepent-3-enyl]benzene is sourced from PubChem (CID 144912903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).