(3E)-3-propylidenecyclopentene

C8H12 — CID 143261522

IUPAC(3E)-3-propylidenecyclopentene
SMILESCC/C=C1/C=CCC1
InChIInChI=1S/C8H12/c1-2-5-8-6-3-4-7-8/h3,5-6H,2,4,7H2,1H3/b8-5-
InChIKeyDAHZEDJJLIGVJZ-YVMONPNESA-N
MW108.18 g/mol
LogP2.67
Rot. Bonds1

About (3E)-3-propylidenecyclopentene

(3E)-3-propylidenecyclopentene (PubChem CID 143261522) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is (3E)-3-propylidenecyclopentene.

Molecular Properties

Compound Name(3E)-3-propylidenecyclopentene
PubChem CID143261522
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name(3E)-3-propylidenecyclopentene
SMILESCC/C=C1/C=CCC1
InChIInChI=1S/C8H12/c1-2-5-8-6-3-4-7-8/h3,5-6H,2,4,7H2,1H3/b8-5-
InChIKeyDAHZEDJJLIGVJZ-YVMONPNESA-N
XLogP2.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Myrcene
CID 31253
trans-Alloocimene
CID 5368821
Farnesene
CID 5281516
beta-Ocimene
CID 18756
beta-Farnesene
CID 5281517
beta-Ocimene, (3Z)-
CID 5320250
beta-OCIMENE, (3E)-
CID 5281553
1-Methylcyclohexa-1,3-diene
CID 121731
2,6-Dimethylocta-2,4,6-triene
CID 12658
2,4-Hexadiene, 3-methyl-
CID 5367612
1-Methyl-1,3-cyclopentadiene
CID 66775
2-Methyl-1,3-cyclohexadiene
CID 73885

Frequently Asked Questions

What is the IUPAC name of (3E)-3-propylidenecyclopentene?
The IUPAC name of (3E)-3-propylidenecyclopentene (CID 143261522) is (3E)-3-propylidenecyclopentene.
What is the SMILES notation for (3E)-3-propylidenecyclopentene?
The canonical SMILES for (3E)-3-propylidenecyclopentene is CC/C=C1/C=CCC1.
What is the InChIKey of (3E)-3-propylidenecyclopentene?
The InChIKey is DAHZEDJJLIGVJZ-YVMONPNESA-N. The full InChI is InChI=1S/C8H12/c1-2-5-8-6-3-4-7-8/h3,5-6H,2,4,7H2,1H3/b8-5-.
What are the key properties of (3E)-3-propylidenecyclopentene?
(3E)-3-propylidenecyclopentene has a molecular weight of 108.18 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-propylidenecyclopentene is sourced from PubChem (CID 143261522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).