4-(2,3-dimethylbutan-2-yl)-1-methylcyclohexene;4-methyl-1,3-di(propan-2-yl)cyclohexene

C26H48 — CID 176571434

IUPAC4-(2,3-dimethylbutan-2-yl)-1-methylcyclohexene;4-methyl-1,3-di(propan-2-yl)cyclohexene
SMILESCC(C)C1=CC(C(C)C)C(C)CC1.CC1=CCC(C(C)(C)C(C)C)CC1
InChIInChI=1S/2C13H24/c1-10(2)13(4,5)12-8-6-11(3)7-9-12;1-9(2)12-7-6-11(5)13(8-12)10(3)4/h6,10,12H,7-9H2,1-5H3;8-11,13H,6-7H2,1-5H3
InChIKeyJVPDINZLEPNKBK-UHFFFAOYSA-N
MW360.67 g/mol
LogP8.69
Rot. Bonds4

About 4-(2,3-dimethylbutan-2-yl)-1-methylcyclohexene;4-methyl-1,3-di(propan-2-yl)cyclohexene

4-(2,3-dimethylbutan-2-yl)-1-methylcyclohexene;4-methyl-1,3-di(propan-2-yl)cyclohexene (PubChem CID 176571434) has the molecular formula C26H48 and a molecular weight of 360.67 g/mol. Its IUPAC name is 4-(2,3-dimethylbutan-2-yl)-1-methylcyclohexene;4-methyl-1,3-di(propan-2-yl)cyclohexene.

Molecular Properties

Compound Name4-(2,3-dimethylbutan-2-yl)-1-methylcyclohexene;4-methyl-1,3-di(propan-2-yl)cyclohexene
PubChem CID176571434
Molecular FormulaC26H48
Molecular Weight360.67 g/mol
Exact Mass360.38
IUPAC Name4-(2,3-dimethylbutan-2-yl)-1-methylcyclohexene;4-methyl-1,3-di(propan-2-yl)cyclohexene
SMILESCC(C)C1=CC(C(C)C)C(C)CC1.CC1=CCC(C(C)(C)C(C)C)CC1
InChIInChI=1S/2C13H24/c1-10(2)13(4,5)12-8-6-11(3)7-9-12;1-9(2)12-7-6-11(5)13(8-12)10(3)4/h6,10,12H,7-9H2,1-5H3;8-11,13H,6-7H2,1-5H3
InChIKeyJVPDINZLEPNKBK-UHFFFAOYSA-N
XLogP8.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.67
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylbutan-2-yl)-1-methylcyclohexene;4-methyl-1,3-di(propan-2-yl)cyclohexene?
The IUPAC name of 4-(2,3-dimethylbutan-2-yl)-1-methylcyclohexene;4-methyl-1,3-di(propan-2-yl)cyclohexene (CID 176571434) is 4-(2,3-dimethylbutan-2-yl)-1-methylcyclohexene;4-methyl-1,3-di(propan-2-yl)cyclohexene.
What is the SMILES notation for 4-(2,3-dimethylbutan-2-yl)-1-methylcyclohexene;4-methyl-1,3-di(propan-2-yl)cyclohexene?
The canonical SMILES for 4-(2,3-dimethylbutan-2-yl)-1-methylcyclohexene;4-methyl-1,3-di(propan-2-yl)cyclohexene is CC(C)C1=CC(C(C)C)C(C)CC1.CC1=CCC(C(C)(C)C(C)C)CC1.
What is the InChIKey of 4-(2,3-dimethylbutan-2-yl)-1-methylcyclohexene;4-methyl-1,3-di(propan-2-yl)cyclohexene?
The InChIKey is JVPDINZLEPNKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H24/c1-10(2)13(4,5)12-8-6-11(3)7-9-12;1-9(2)12-7-6-11(5)13(8-12)10(3)4/h6,10,12H,7-9H2,1-5H3;8-11,13H,6-7H2,1-5H3.
What are the key properties of 4-(2,3-dimethylbutan-2-yl)-1-methylcyclohexene;4-methyl-1,3-di(propan-2-yl)cyclohexene?
4-(2,3-dimethylbutan-2-yl)-1-methylcyclohexene;4-methyl-1,3-di(propan-2-yl)cyclohexene has a molecular weight of 360.67 g/mol, XLogP of 8.69, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylbutan-2-yl)-1-methylcyclohexene;4-methyl-1,3-di(propan-2-yl)cyclohexene is sourced from PubChem (CID 176571434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).