1,4-dimethyl-2-pentylcyclohexene

C13H24 — CID 175171026

IUPAC1,4-dimethyl-2-pentylcyclohexene
SMILESCCCCCC1=C(C)CCC(C)C1
InChIInChI=1S/C13H24/c1-4-5-6-7-13-10-11(2)8-9-12(13)3/h11H,4-10H2,1-3H3
InChIKeyXTXHCOHZHRWIKR-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.70
Rot. Bonds4

About 1,4-dimethyl-2-pentylcyclohexene

1,4-dimethyl-2-pentylcyclohexene (PubChem CID 175171026) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 1,4-dimethyl-2-pentylcyclohexene.

Molecular Properties

Compound Name1,4-dimethyl-2-pentylcyclohexene
PubChem CID175171026
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name1,4-dimethyl-2-pentylcyclohexene
SMILESCCCCCC1=C(C)CCC(C)C1
InChIInChI=1S/C13H24/c1-4-5-6-7-13-10-11(2)8-9-12(13)3/h11H,4-10H2,1-3H3
InChIKeyXTXHCOHZHRWIKR-UHFFFAOYSA-N
XLogP4.70
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 ≤ 54.70
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

(6R)-6-[2-[(5R)-2,5-dimethylcyclohexen-1-yl]ethyl]cyclohex-2-en-1-ol
CID 143690626
(1Z)-1,2-dipentylcyclononene
CID 134981785
1,2-dihexylcyclohexene
CID 19795043
1-butyl-2-methylcyclohexene;ethane
CID 145390002
1,2-diheptylcyclopropene
CID 557048
1,6-dihexyl-2-methylcyclohepta-1,4-diene
CID 101427579
1-pentyl-2-(2-pentylcyclohexen-1-yl)oxycyclohexene
CID 21413591
1-decyl-4,5-dimethoxy-2-methylcyclohexa-1,4-diene
CID 175795883
1-butyl-2-hexylcyclopropene
CID 134897823
bis(2-fluoro-1,4-dimethylcyclohexene);methane
CID 160664203
ethane;2-ethyl-1-heptyl-3-methylcyclohexene;propane
CID 143434835
5-methyl-3-pentyl-1-phenyl-4,5,6,7-tetrahydroindazole
CID 139238262

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-pentylcyclohexene?
The IUPAC name of 1,4-dimethyl-2-pentylcyclohexene (CID 175171026) is 1,4-dimethyl-2-pentylcyclohexene.
What is the SMILES notation for 1,4-dimethyl-2-pentylcyclohexene?
The canonical SMILES for 1,4-dimethyl-2-pentylcyclohexene is CCCCCC1=C(C)CCC(C)C1.
What is the InChIKey of 1,4-dimethyl-2-pentylcyclohexene?
The InChIKey is XTXHCOHZHRWIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-4-5-6-7-13-10-11(2)8-9-12(13)3/h11H,4-10H2,1-3H3.
What are the key properties of 1,4-dimethyl-2-pentylcyclohexene?
1,4-dimethyl-2-pentylcyclohexene has a molecular weight of 180.33 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-pentylcyclohexene is sourced from PubChem (CID 175171026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).