2,4-dimethylpentane;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexane

C31H58 — CID 167589359

IUPAC2,4-dimethylpentane;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexane
SMILESCC(C)C1CCC(C(C)C)CC1.CC(C)CC(C)C.CC(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C12H24.C12H18.C7H16/c2*1-9(2)11-5-7-12(8-6-11)10(3)4;1-6(2)5-7(3)4/h9-12H,5-8H2,1-4H3;5-10H,1-4H3;6-7H,5H2,1-4H3
InChIKeyIFLZCAAWDSXKIZ-UHFFFAOYSA-N
MW430.81 g/mol
LogP10.73
Rot. Bonds6

About 2,4-dimethylpentane;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexane

2,4-dimethylpentane;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexane (PubChem CID 167589359) has the molecular formula C31H58 and a molecular weight of 430.81 g/mol. Its IUPAC name is 2,4-dimethylpentane;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexane.

Molecular Properties

Compound Name2,4-dimethylpentane;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexane
PubChem CID167589359
Molecular FormulaC31H58
Molecular Weight430.81 g/mol
Exact Mass430.45
IUPAC Name2,4-dimethylpentane;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexane
SMILESCC(C)C1CCC(C(C)C)CC1.CC(C)CC(C)C.CC(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C12H24.C12H18.C7H16/c2*1-9(2)11-5-7-12(8-6-11)10(3)4;1-6(2)5-7(3)4/h9-12H,5-8H2,1-4H3;5-10H,1-4H3;6-7H,5H2,1-4H3
InChIKeyIFLZCAAWDSXKIZ-UHFFFAOYSA-N
XLogP10.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.81
LogP ≤ 510.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,4-dimethylpentane;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexane with MolForge

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Related Compounds

1-propan-2-yl-4-[4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexyl]benzene
CID 159561903
2-cyclopropyl-2-(4-propan-2-ylphenyl)ethanamine
CID 82024028
1-propan-2-yl-4-[(3-propan-2-ylcyclobutyl)oxymethyl]benzene
CID 177122881
4-propan-2-yl-1-(4-propan-2-ylphenyl)cyclohexan-1-amine
CID 55186583
1-[(4-propan-2-ylcyclohexyl)methyl]-4-(4-propan-2-ylphenyl)piperidine
CID 155068602
2,6-dimethyloctane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane
CID 158649690
3-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine
CID 103561839
3-amino-3-cyclopropyl-2-(4-propan-2-ylphenoxy)propan-1-ol
CID 114357850
[3-propan-2-yl-1-(4-propan-2-ylphenyl)cyclobutyl]methanamine
CID 65017231
1-(4-propan-2-ylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103499002
2-cyclopentyl-2-(4-propan-2-ylphenyl)ethanamine
CID 79022519
cumene;2,3-dimethylbutane;propan-2-ylcyclopropane;2-propan-2-ylthiophene
CID 159329708

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentane;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexane?
The IUPAC name of 2,4-dimethylpentane;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexane (CID 167589359) is 2,4-dimethylpentane;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexane.
What is the SMILES notation for 2,4-dimethylpentane;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexane?
The canonical SMILES for 2,4-dimethylpentane;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexane is CC(C)C1CCC(C(C)C)CC1.CC(C)CC(C)C.CC(C)c1ccc(C(C)C)cc1.
What is the InChIKey of 2,4-dimethylpentane;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexane?
The InChIKey is IFLZCAAWDSXKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24.C12H18.C7H16/c2*1-9(2)11-5-7-12(8-6-11)10(3)4;1-6(2)5-7(3)4/h9-12H,5-8H2,1-4H3;5-10H,1-4H3;6-7H,5H2,1-4H3.
What are the key properties of 2,4-dimethylpentane;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexane?
2,4-dimethylpentane;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexane has a molecular weight of 430.81 g/mol, XLogP of 10.73, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentane;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexane is sourced from PubChem (CID 167589359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).