4-methyl-1,2-di(propan-2-yl)cyclopentene

C12H22 — CID 140883778

IUPAC4-methyl-1,2-di(propan-2-yl)cyclopentene
SMILESCC1CC(C(C)C)=C(C(C)C)C1
InChIInChI=1S/C12H22/c1-8(2)11-6-10(5)7-12(11)9(3)4/h8-10H,6-7H2,1-5H3
InChIKeyVFJHUWQKLFWXDY-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.02
Rot. Bonds2

About 4-methyl-1,2-di(propan-2-yl)cyclopentene

4-methyl-1,2-di(propan-2-yl)cyclopentene (PubChem CID 140883778) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 4-methyl-1,2-di(propan-2-yl)cyclopentene.

Molecular Properties

Compound Name4-methyl-1,2-di(propan-2-yl)cyclopentene
PubChem CID140883778
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name4-methyl-1,2-di(propan-2-yl)cyclopentene
SMILESCC1CC(C(C)C)=C(C(C)C)C1
InChIInChI=1S/C12H22/c1-8(2)11-6-10(5)7-12(11)9(3)4/h8-10H,6-7H2,1-5H3
InChIKeyVFJHUWQKLFWXDY-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.02
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

1,2,4-tri(propan-2-yl)cyclopentene
CID 20780367
2-methyl-4,5-di(propan-2-yl)-1,2,3,6-tetrahydropyridine
CID 170030905
1-(4-methyl-2-propan-2-ylcyclobuten-1-yl)ethanamine
CID 170000423
1,2,4-tri(propan-2-yl)cyclohexene
CID 177269639
2,5-dimethyl-8-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene
CID 91747915
5-methyl-2-propan-2-ylcyclopentene-1-thiol
CID 45095992
3-methylbicyclo[3.2.0]hept-1(5)-ene
CID 123354249
2-(dimethoxymethyl)-5-methylcyclohexane-1,3-dione
CID 130595738
(1R,5R)-5-methyl-2-propan-2-ylcyclohex-2-en-1-ol
CID 11116276
2,3,5-tri(propan-2-yl)cyclohex-2-en-1-one
CID 171770113
ethane;1,2,3,4-tetra(propan-2-yl)cyclohexa-1,3-diene
CID 167536251
2-methyl-1-propan-2-ylcyclopenta-1,3-diene
CID 18914846

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2-di(propan-2-yl)cyclopentene?
The IUPAC name of 4-methyl-1,2-di(propan-2-yl)cyclopentene (CID 140883778) is 4-methyl-1,2-di(propan-2-yl)cyclopentene.
What is the SMILES notation for 4-methyl-1,2-di(propan-2-yl)cyclopentene?
The canonical SMILES for 4-methyl-1,2-di(propan-2-yl)cyclopentene is CC1CC(C(C)C)=C(C(C)C)C1.
What is the InChIKey of 4-methyl-1,2-di(propan-2-yl)cyclopentene?
The InChIKey is VFJHUWQKLFWXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-8(2)11-6-10(5)7-12(11)9(3)4/h8-10H,6-7H2,1-5H3.
What are the key properties of 4-methyl-1,2-di(propan-2-yl)cyclopentene?
4-methyl-1,2-di(propan-2-yl)cyclopentene has a molecular weight of 166.31 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2-di(propan-2-yl)cyclopentene is sourced from PubChem (CID 140883778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).