1,1-dimethyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane

C20H40 — CID 165006340

IUPAC1,1-dimethyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane
SMILESCC(C)C1CCC(C)(C)CC1.CC(C)C1CCCCC1
InChIInChI=1S/C11H22.C9H18/c1-9(2)10-5-7-11(3,4)8-6-10;1-8(2)9-6-4-3-5-7-9/h9-10H,5-8H2,1-4H3;8-9H,3-7H2,1-2H3
InChIKeyJAEBIGHDVZSFBS-UHFFFAOYSA-N
MW280.54 g/mol
LogP7.08
Rot. Bonds2

About 1,1-dimethyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane

1,1-dimethyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane (PubChem CID 165006340) has the molecular formula C20H40 and a molecular weight of 280.54 g/mol. Its IUPAC name is 1,1-dimethyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane.

Molecular Properties

Compound Name1,1-dimethyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane
PubChem CID165006340
Molecular FormulaC20H40
Molecular Weight280.54 g/mol
Exact Mass280.31
IUPAC Name1,1-dimethyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane
SMILESCC(C)C1CCC(C)(C)CC1.CC(C)C1CCCCC1
InChIInChI=1S/C11H22.C9H18/c1-9(2)10-5-7-11(3,4)8-6-10;1-8(2)9-6-4-3-5-7-9/h9-10H,5-8H2,1-4H3;8-9H,3-7H2,1-2H3
InChIKeyJAEBIGHDVZSFBS-UHFFFAOYSA-N
XLogP7.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.54
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,5-trimethyl-11-propan-2-ylcyclotetradecane
CID 123878948
methane;propan-2-ylcyclotetradecane
CID 159882779
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CID 169430642
2,2-dimethylpropane;propan-2-ylcyclohexane
CID 159663996
benzene;propan-2-ylcyclohexane
CID 163364158
carbanide;iron(2+);bis(propan-2-ylcyclopentane)
CID 162282173
1-methyl-4-propan-2-ylcycloheptan-1-amine
CID 65086761
1,1-di(propan-2-yl)cyclopentane;propan-2-ylcyclopentane
CID 167644574
1-(4,4-dimethylcycloheptyl)-2-methylpropan-1-amine
CID 79299029
propane;propan-2-ylcyclopentane
CID 91615250
butan-2-ylcyclohexane;1,1-difluoro-4-propan-2-ylcyclohexane
CID 177138438
1-bromo-1-methyl-4-propan-2-ylcyclohexane
CID 90475813

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane?
The IUPAC name of 1,1-dimethyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane (CID 165006340) is 1,1-dimethyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane.
What is the SMILES notation for 1,1-dimethyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane?
The canonical SMILES for 1,1-dimethyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane is CC(C)C1CCC(C)(C)CC1.CC(C)C1CCCCC1.
What is the InChIKey of 1,1-dimethyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane?
The InChIKey is JAEBIGHDVZSFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22.C9H18/c1-9(2)10-5-7-11(3,4)8-6-10;1-8(2)9-6-4-3-5-7-9/h9-10H,5-8H2,1-4H3;8-9H,3-7H2,1-2H3.
What are the key properties of 1,1-dimethyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane?
1,1-dimethyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane has a molecular weight of 280.54 g/mol, XLogP of 7.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane is sourced from PubChem (CID 165006340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).