1-[(E)-3-ethylhept-3-enyl]cyclohexa-1,3-diene;1-methylcyclopentene

C21H34 — CID 143963290

IUPAC1-[(E)-3-ethylhept-3-enyl]cyclohexa-1,3-diene;1-methylcyclopentene
SMILESCC1=CCCC1.CCC/C=C(\CC)CCC1=CC=CCC1
InChIInChI=1S/C15H24.C6H10/c1-3-5-9-14(4-2)12-13-15-10-7-6-8-11-15;1-6-4-2-3-5-6/h6-7,9-10H,3-5,8,11-13H2,1-2H3;4H,2-3,5H2,1H3/b14-9+;
InChIKeyPWABLKYKRYSMGK-KYIGKLDSSA-N
MW286.50 g/mol
LogP7.30
Rot. Bonds6

About 1-[(E)-3-ethylhept-3-enyl]cyclohexa-1,3-diene;1-methylcyclopentene

1-[(E)-3-ethylhept-3-enyl]cyclohexa-1,3-diene;1-methylcyclopentene (PubChem CID 143963290) has the molecular formula C21H34 and a molecular weight of 286.50 g/mol. Its IUPAC name is 1-[(E)-3-ethylhept-3-enyl]cyclohexa-1,3-diene;1-methylcyclopentene.

Molecular Properties

Compound Name1-[(E)-3-ethylhept-3-enyl]cyclohexa-1,3-diene;1-methylcyclopentene
PubChem CID143963290
Molecular FormulaC21H34
Molecular Weight286.50 g/mol
Exact Mass286.27
IUPAC Name1-[(E)-3-ethylhept-3-enyl]cyclohexa-1,3-diene;1-methylcyclopentene
SMILESCC1=CCCC1.CCC/C=C(\CC)CCC1=CC=CCC1
InChIInChI=1S/C15H24.C6H10/c1-3-5-9-14(4-2)12-13-15-10-7-6-8-11-15;1-6-4-2-3-5-6/h6-7,9-10H,3-5,8,11-13H2,1-2H3;4H,2-3,5H2,1H3/b14-9+;
InChIKeyPWABLKYKRYSMGK-KYIGKLDSSA-N
XLogP7.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 57.30
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-cyclohexa-1,3-dien-1-yl-4-[(E)-hept-3-en-3-yl]cyclohexa-1,3-diene
CID 142551291
(1Z,3E,7E)-1,7-dimethylcyclodeca-1,3,7-triene
CID 5367028
1-cyclohepta-1,3-dien-1-ylundecan-4-one
CID 143194724
1-methylcyclopenta-1,3-diene;1-methylcyclopentene;toluene
CID 158476538
methyl (E)-5-cyclohexa-1,3-dien-1-ylpent-2-enoate
CID 143932184
3-cyclotetradeca-1,3-dien-1-ylpropanoic acid
CID 70614861
(E)-5-ethyldec-4-ene
CID 173194379
1-(4-methylpentyl)cyclohexa-1,3-diene
CID 19795456
(1E,3Z)-1-methyl-3-propylcycloocta-1,3,5-triene
CID 144585615
5-ethyldodec-4-ene
CID 123814834
cyclohexa-1,3-dien-1-ol;ethane;propane
CID 143588772
5-ethylnona-1,5-diene
CID 54516473

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-ethylhept-3-enyl]cyclohexa-1,3-diene;1-methylcyclopentene?
The IUPAC name of 1-[(E)-3-ethylhept-3-enyl]cyclohexa-1,3-diene;1-methylcyclopentene (CID 143963290) is 1-[(E)-3-ethylhept-3-enyl]cyclohexa-1,3-diene;1-methylcyclopentene.
What is the SMILES notation for 1-[(E)-3-ethylhept-3-enyl]cyclohexa-1,3-diene;1-methylcyclopentene?
The canonical SMILES for 1-[(E)-3-ethylhept-3-enyl]cyclohexa-1,3-diene;1-methylcyclopentene is CC1=CCCC1.CCC/C=C(\CC)CCC1=CC=CCC1.
What is the InChIKey of 1-[(E)-3-ethylhept-3-enyl]cyclohexa-1,3-diene;1-methylcyclopentene?
The InChIKey is PWABLKYKRYSMGK-KYIGKLDSSA-N. The full InChI is InChI=1S/C15H24.C6H10/c1-3-5-9-14(4-2)12-13-15-10-7-6-8-11-15;1-6-4-2-3-5-6/h6-7,9-10H,3-5,8,11-13H2,1-2H3;4H,2-3,5H2,1H3/b14-9+;.
What are the key properties of 1-[(E)-3-ethylhept-3-enyl]cyclohexa-1,3-diene;1-methylcyclopentene?
1-[(E)-3-ethylhept-3-enyl]cyclohexa-1,3-diene;1-methylcyclopentene has a molecular weight of 286.50 g/mol, XLogP of 7.30, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-ethylhept-3-enyl]cyclohexa-1,3-diene;1-methylcyclopentene is sourced from PubChem (CID 143963290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).