1-ethyl-3,4-dimethylidenecyclopentene

C9H12 — CID 91329955

IUPAC1-ethyl-3,4-dimethylidenecyclopentene
SMILESC=C1C=C(CC)CC1=C
InChIInChI=1S/C9H12/c1-4-9-5-7(2)8(3)6-9/h5H,2-4,6H2,1H3
InChIKeyGQRGRYRTDCVHKX-UHFFFAOYSA-N
MW120.19 g/mol
LogP2.84
Rot. Bonds1

About 1-ethyl-3,4-dimethylidenecyclopentene

1-ethyl-3,4-dimethylidenecyclopentene (PubChem CID 91329955) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is 1-ethyl-3,4-dimethylidenecyclopentene.

Molecular Properties

Compound Name1-ethyl-3,4-dimethylidenecyclopentene
PubChem CID91329955
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name1-ethyl-3,4-dimethylidenecyclopentene
SMILESC=C1C=C(CC)CC1=C
InChIInChI=1S/C9H12/c1-4-9-5-7(2)8(3)6-9/h5H,2-4,6H2,1H3
InChIKeyGQRGRYRTDCVHKX-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,4-dimethylidenecyclopentene?
The IUPAC name of 1-ethyl-3,4-dimethylidenecyclopentene (CID 91329955) is 1-ethyl-3,4-dimethylidenecyclopentene.
What is the SMILES notation for 1-ethyl-3,4-dimethylidenecyclopentene?
The canonical SMILES for 1-ethyl-3,4-dimethylidenecyclopentene is C=C1C=C(CC)CC1=C.
What is the InChIKey of 1-ethyl-3,4-dimethylidenecyclopentene?
The InChIKey is GQRGRYRTDCVHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12/c1-4-9-5-7(2)8(3)6-9/h5H,2-4,6H2,1H3.
What are the key properties of 1-ethyl-3,4-dimethylidenecyclopentene?
1-ethyl-3,4-dimethylidenecyclopentene has a molecular weight of 120.19 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,4-dimethylidenecyclopentene is sourced from PubChem (CID 91329955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).