1-methyl-4-(2,3,4-trimethylpentyl)cyclopentene

C14H26 — CID 91022928

IUPAC1-methyl-4-(2,3,4-trimethylpentyl)cyclopentene
SMILESCC1=CCC(CC(C)C(C)C(C)C)C1
InChIInChI=1S/C14H26/c1-10(2)13(5)12(4)9-14-7-6-11(3)8-14/h6,10,12-14H,7-9H2,1-5H3
InChIKeyWKEMISLOTKNQAG-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.66
Rot. Bonds4

About 1-methyl-4-(2,3,4-trimethylpentyl)cyclopentene

1-methyl-4-(2,3,4-trimethylpentyl)cyclopentene (PubChem CID 91022928) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 1-methyl-4-(2,3,4-trimethylpentyl)cyclopentene.

Molecular Properties

Compound Name1-methyl-4-(2,3,4-trimethylpentyl)cyclopentene
PubChem CID91022928
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name1-methyl-4-(2,3,4-trimethylpentyl)cyclopentene
SMILESCC1=CCC(CC(C)C(C)C(C)C)C1
InChIInChI=1S/C14H26/c1-10(2)13(5)12(4)9-14-7-6-11(3)8-14/h6,10,12-14H,7-9H2,1-5H3
InChIKeyWKEMISLOTKNQAG-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.66
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

3-methyl-6-propan-2-ylcyclohex-3-ene-1-carbaldehyde
CID 101489357
[(2R)-2,3-dimethylbutyl]cyclopropane
CID 58368146
(5R)-4,5-dichloro-1-methylcyclohexene
CID 118474866
(4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;methane
CID 159750866
1-(2,3-dimethylbutyl)-3-ethylcyclopentane
CID 123993465
1-methyl-4-[(4-methylcyclohex-3-en-1-yl)methyl]cyclohexene
CID 23031272
(4R,5R)-1,4,5-trimethylcyclohexene
CID 13226239
4,5-dibromo-1-methylcyclohexene
CID 10422412
4-iodo-1-methylcyclopentene
CID 144823254
[(1S,6R)-6-(hydroxymethyl)-4-methylcyclohex-3-en-1-yl]methanol
CID 67908983
2,3-dimethylbutylcyclodecane
CID 123220792
5-(chloromethyl)-1-methylcyclohexene
CID 152729748

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2,3,4-trimethylpentyl)cyclopentene?
The IUPAC name of 1-methyl-4-(2,3,4-trimethylpentyl)cyclopentene (CID 91022928) is 1-methyl-4-(2,3,4-trimethylpentyl)cyclopentene.
What is the SMILES notation for 1-methyl-4-(2,3,4-trimethylpentyl)cyclopentene?
The canonical SMILES for 1-methyl-4-(2,3,4-trimethylpentyl)cyclopentene is CC1=CCC(CC(C)C(C)C(C)C)C1.
What is the InChIKey of 1-methyl-4-(2,3,4-trimethylpentyl)cyclopentene?
The InChIKey is WKEMISLOTKNQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-10(2)13(5)12(4)9-14-7-6-11(3)8-14/h6,10,12-14H,7-9H2,1-5H3.
What are the key properties of 1-methyl-4-(2,3,4-trimethylpentyl)cyclopentene?
1-methyl-4-(2,3,4-trimethylpentyl)cyclopentene has a molecular weight of 194.36 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2,3,4-trimethylpentyl)cyclopentene is sourced from PubChem (CID 91022928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).