1,5-dimethylcyclohexene

C8H14 — CID 520362

IUPAC1,5-dimethylcyclohexene
SMILESCC1=CCCC(C)C1
InChIInChI=1S/C8H14/c1-7-4-3-5-8(2)6-7/h4,8H,3,5-6H2,1-2H3
InChIKeyQOSLKKIVSIPIFE-UHFFFAOYSA-N
MW110.20 g/mol
LogP2.75
Rot. Bonds

About 1,5-dimethylcyclohexene

1,5-dimethylcyclohexene (PubChem CID 520362) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is 1,5-dimethylcyclohexene.

Molecular Properties

Compound Name1,5-dimethylcyclohexene
PubChem CID520362
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name1,5-dimethylcyclohexene
SMILESCC1=CCCC(C)C1
InChIInChI=1S/C8H14/c1-7-4-3-5-8(2)6-7/h4,8H,3,5-6H2,1-2H3
InChIKeyQOSLKKIVSIPIFE-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.75
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

(5S)-5-methylcyclohexen-1-amine
CID 163541060
(1R)-3-methylcyclohex-3-en-1-ol
CID 144556307
(4Z)-4,8-dimethylcyclooct-4-ene-1,2-diol
CID 23092826
1-methyl-5-[2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]cyclohexene
CID 59720725
(5R)-1-methyl-5-propan-2-ylcyclohexene
CID 91700558
1-ethenyl-5-methylcyclohexene
CID 13382650
(5R)-5-methylcyclohexene-1-carbaldehyde
CID 54558151
5-(chloromethyl)-1-methylcyclohexene
CID 152729748
3,9,13-trimethyl-6-propan-2-ylcyclotetradeca-3,5,9-trien-1-one
CID 72739214
(1S)-2-tert-butyl-5,9,13-trimethylcyclotetradeca-2,8,12-trien-1-ol
CID 91416681
(5-methylcyclohexen-1-yl)benzene
CID 56998306
1,3-difluoro-2,5-dimethylbenzene;1-fluoro-5-methylcyclohexene
CID 144519543

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylcyclohexene?
The IUPAC name of 1,5-dimethylcyclohexene (CID 520362) is 1,5-dimethylcyclohexene.
What is the SMILES notation for 1,5-dimethylcyclohexene?
The canonical SMILES for 1,5-dimethylcyclohexene is CC1=CCCC(C)C1.
What is the InChIKey of 1,5-dimethylcyclohexene?
The InChIKey is QOSLKKIVSIPIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14/c1-7-4-3-5-8(2)6-7/h4,8H,3,5-6H2,1-2H3.
What are the key properties of 1,5-dimethylcyclohexene?
1,5-dimethylcyclohexene has a molecular weight of 110.20 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylcyclohexene is sourced from PubChem (CID 520362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).