2,3-dimethyl-1-propan-2-ylcyclopentene

C10H18 — CID 565638

IUPAC2,3-dimethyl-1-propan-2-ylcyclopentene
SMILESCC1=C(C(C)C)CCC1C
InChIInChI=1S/C10H18/c1-7(2)10-6-5-8(3)9(10)4/h7-8H,5-6H2,1-4H3
InChIKeyZIIJPMKNRZIMNM-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.39
Rot. Bonds1

About 2,3-dimethyl-1-propan-2-ylcyclopentene

2,3-dimethyl-1-propan-2-ylcyclopentene (PubChem CID 565638) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 2,3-dimethyl-1-propan-2-ylcyclopentene.

Molecular Properties

Compound Name2,3-dimethyl-1-propan-2-ylcyclopentene
PubChem CID565638
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name2,3-dimethyl-1-propan-2-ylcyclopentene
SMILESCC1=C(C(C)C)CCC1C
InChIInChI=1S/C10H18/c1-7(2)10-6-5-8(3)9(10)4/h7-8H,5-6H2,1-4H3
InChIKeyZIIJPMKNRZIMNM-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-propan-2-ylcyclopentene?
The IUPAC name of 2,3-dimethyl-1-propan-2-ylcyclopentene (CID 565638) is 2,3-dimethyl-1-propan-2-ylcyclopentene.
What is the SMILES notation for 2,3-dimethyl-1-propan-2-ylcyclopentene?
The canonical SMILES for 2,3-dimethyl-1-propan-2-ylcyclopentene is CC1=C(C(C)C)CCC1C.
What is the InChIKey of 2,3-dimethyl-1-propan-2-ylcyclopentene?
The InChIKey is ZIIJPMKNRZIMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-7(2)10-6-5-8(3)9(10)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 2,3-dimethyl-1-propan-2-ylcyclopentene?
2,3-dimethyl-1-propan-2-ylcyclopentene has a molecular weight of 138.25 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-propan-2-ylcyclopentene is sourced from PubChem (CID 565638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).