5,5-dimethyl-3-pentylcyclohexene

C13H24 — CID 123264098

IUPAC5,5-dimethyl-3-pentylcyclohexene
SMILESCCCCCC1C=CCC(C)(C)C1
InChIInChI=1S/C13H24/c1-4-5-6-8-12-9-7-10-13(2,3)11-12/h7,9,12H,4-6,8,10-11H2,1-3H3
InChIKeyYFUPJOZHQJUTMY-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.56
Rot. Bonds4

About 5,5-dimethyl-3-pentylcyclohexene

5,5-dimethyl-3-pentylcyclohexene (PubChem CID 123264098) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 5,5-dimethyl-3-pentylcyclohexene.

Molecular Properties

Compound Name5,5-dimethyl-3-pentylcyclohexene
PubChem CID123264098
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name5,5-dimethyl-3-pentylcyclohexene
SMILESCCCCCC1C=CCC(C)(C)C1
InChIInChI=1S/C13H24/c1-4-5-6-8-12-9-7-10-13(2,3)11-12/h7,9,12H,4-6,8,10-11H2,1-3H3
InChIKeyYFUPJOZHQJUTMY-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-5-pentylcyclohex-3-ene-1-carboxylic acid
CID 175865196
5-hexyl-1-methylcyclohex-3-ene-1-carboxylic acid
CID 175865212
3-decylcyclobutene
CID 174421846
(3S)-3-nonylcyclopentene
CID 90814175
(3R)-3-hexylcyclohexene
CID 144775192
1,1-dimethyl-2-octylcyclopropane
CID 15329257
1-methyl-2-pentylcyclopropan-1-ol
CID 15701982
4-decyl-1,1,2,2-tetramethylcyclopentane
CID 151279869
1-methyl-2-pentylbicyclo[1.1.0]butane
CID 90877052
1,6-dihexyl-2-methylcyclohepta-1,4-diene
CID 101427579
CID 11459117
CID 11459117
2,6-dihexylspiro[3.3]heptane
CID 58679549

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-pentylcyclohexene?
The IUPAC name of 5,5-dimethyl-3-pentylcyclohexene (CID 123264098) is 5,5-dimethyl-3-pentylcyclohexene.
What is the SMILES notation for 5,5-dimethyl-3-pentylcyclohexene?
The canonical SMILES for 5,5-dimethyl-3-pentylcyclohexene is CCCCCC1C=CCC(C)(C)C1.
What is the InChIKey of 5,5-dimethyl-3-pentylcyclohexene?
The InChIKey is YFUPJOZHQJUTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-4-5-6-8-12-9-7-10-13(2,3)11-12/h7,9,12H,4-6,8,10-11H2,1-3H3.
What are the key properties of 5,5-dimethyl-3-pentylcyclohexene?
5,5-dimethyl-3-pentylcyclohexene has a molecular weight of 180.33 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-pentylcyclohexene is sourced from PubChem (CID 123264098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).