(3E)-3-ethylidene-1-methylcyclopentene

C8H12 — CID 5368810

IUPAC(3E)-3-ethylidene-1-methylcyclopentene
SMILESC/C=C1/C=C(C)CC1
InChIInChI=1S/C8H12/c1-3-8-5-4-7(2)6-8/h3,6H,4-5H2,1-2H3/b8-3+
InChIKeyKNMRUIAIEAZNRY-FPYGCLRLSA-N
MW108.18 g/mol
LogP2.67
Rot. Bonds

About (3E)-3-ethylidene-1-methylcyclopentene

(3E)-3-ethylidene-1-methylcyclopentene (PubChem CID 5368810) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is (3E)-3-ethylidene-1-methylcyclopentene.

Molecular Properties

Compound Name(3E)-3-ethylidene-1-methylcyclopentene
PubChem CID5368810
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name(3E)-3-ethylidene-1-methylcyclopentene
SMILESC/C=C1/C=C(C)CC1
InChIInChI=1S/C8H12/c1-3-8-5-4-7(2)6-8/h3,6H,4-5H2,1-2H3/b8-3+
InChIKeyKNMRUIAIEAZNRY-FPYGCLRLSA-N
XLogP2.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
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

Farnesene
CID 5281516
1-Methyl-1,3-cyclopentadiene
CID 66775
(Z,E)-alpha-Farnesene
CID 5362889
(3E)-4,8-dimethyl-1,3,7-nonatriene
CID 6427110
1-Methylcyclopentene
CID 12746
alpha-Ocimene
CID 5320249
p-Mentha-1,3,8-triene
CID 176983
(2Z)-3-Methyl-4-methylideneoct-2-ene
CID 121232770
Sylveterpinolene
CID 524200
3,7,11-Trimethyl-1,3,6,10-dodecatetraene
CID 442368
1,3-Cyclopentadiene, 5-(1-methylethylidene)-
CID 137467
alpha-Farnesene, (3Z,6Z)-
CID 5317320

Frequently Asked Questions

What is the IUPAC name of (3E)-3-ethylidene-1-methylcyclopentene?
The IUPAC name of (3E)-3-ethylidene-1-methylcyclopentene (CID 5368810) is (3E)-3-ethylidene-1-methylcyclopentene.
What is the SMILES notation for (3E)-3-ethylidene-1-methylcyclopentene?
The canonical SMILES for (3E)-3-ethylidene-1-methylcyclopentene is C/C=C1/C=C(C)CC1.
What is the InChIKey of (3E)-3-ethylidene-1-methylcyclopentene?
The InChIKey is KNMRUIAIEAZNRY-FPYGCLRLSA-N. The full InChI is InChI=1S/C8H12/c1-3-8-5-4-7(2)6-8/h3,6H,4-5H2,1-2H3/b8-3+.
What are the key properties of (3E)-3-ethylidene-1-methylcyclopentene?
(3E)-3-ethylidene-1-methylcyclopentene has a molecular weight of 108.18 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-ethylidene-1-methylcyclopentene is sourced from PubChem (CID 5368810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).