3-(2,2-dimethylpropyl)-1,5-dimethylcyclohexene

C13H24 — CID 123707543

IUPAC3-(2,2-dimethylpropyl)-1,5-dimethylcyclohexene
SMILESCC1=CC(CC(C)(C)C)CC(C)C1
InChIInChI=1S/C13H24/c1-10-6-11(2)8-12(7-10)9-13(3,4)5/h7,11-12H,6,8-9H2,1-5H3
InChIKeyHZEACBHGEPYWKY-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.41
Rot. Bonds1

About 3-(2,2-dimethylpropyl)-1,5-dimethylcyclohexene

3-(2,2-dimethylpropyl)-1,5-dimethylcyclohexene (PubChem CID 123707543) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-1,5-dimethylcyclohexene.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-1,5-dimethylcyclohexene
PubChem CID123707543
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name3-(2,2-dimethylpropyl)-1,5-dimethylcyclohexene
SMILESCC1=CC(CC(C)(C)C)CC(C)C1
InChIInChI=1S/C13H24/c1-10-6-11(2)8-12(7-10)9-13(3,4)5/h7,11-12H,6,8-9H2,1-5H3
InChIKeyHZEACBHGEPYWKY-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.41
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-ethyl-1,5-dimethylcyclohexene
CID 123667989
(1R,5S)-3,5-dimethylcyclohex-2-en-1-ol
CID 129404741
1-methyl-3-propylcyclobutene
CID 14434507
(3S)-1,3-dimethylcyclobutene
CID 58737300
1-(2,2-dimethylpropyl)-3-methylcyclopentane
CID 58530421
(3,5-dimethylcyclohex-3-en-1-yl)methanamine
CID 103275915
2-(2,2-dimethylpropyl)-4-methylcyclohexan-1-ol
CID 58331735
1-(3,5-dimethylcyclohex-3-en-1-yl)-2,2-dimethylpropan-1-ol
CID 103277645
(3R,4S)-3-ethyl-1,4-dimethylcyclopentene
CID 163464724
cis-(1S,3R)-1-(2,2-dimethylpropyl)-3-methylcyclohexane
CID 158565558
1,2,4,6-tetramethyl-3,6-dihydro-2H-pyridine
CID 20692709
5-tert-butyl-2-(3,5-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-dioxane
CID 19803366

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-1,5-dimethylcyclohexene?
The IUPAC name of 3-(2,2-dimethylpropyl)-1,5-dimethylcyclohexene (CID 123707543) is 3-(2,2-dimethylpropyl)-1,5-dimethylcyclohexene.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-1,5-dimethylcyclohexene?
The canonical SMILES for 3-(2,2-dimethylpropyl)-1,5-dimethylcyclohexene is CC1=CC(CC(C)(C)C)CC(C)C1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-1,5-dimethylcyclohexene?
The InChIKey is HZEACBHGEPYWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-10-6-11(2)8-12(7-10)9-13(3,4)5/h7,11-12H,6,8-9H2,1-5H3.
What are the key properties of 3-(2,2-dimethylpropyl)-1,5-dimethylcyclohexene?
3-(2,2-dimethylpropyl)-1,5-dimethylcyclohexene has a molecular weight of 180.33 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-1,5-dimethylcyclohexene is sourced from PubChem (CID 123707543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).