1-tert-butyl-2-propan-2-ylcyclohexane

C13H26 — CID 59820112

IUPAC1-tert-butyl-2-propan-2-ylcyclohexane
SMILESCC(C)C1CCCCC1C(C)(C)C
InChIInChI=1S/C13H26/c1-10(2)11-8-6-7-9-12(11)13(3,4)5/h10-12H,6-9H2,1-5H3
InChIKeyOGXFEEZLGWWKDS-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.49
Rot. Bonds1

About 1-tert-butyl-2-propan-2-ylcyclohexane

1-tert-butyl-2-propan-2-ylcyclohexane (PubChem CID 59820112) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1-tert-butyl-2-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1-tert-butyl-2-propan-2-ylcyclohexane
PubChem CID59820112
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1-tert-butyl-2-propan-2-ylcyclohexane
SMILESCC(C)C1CCCCC1C(C)(C)C
InChIInChI=1S/C13H26/c1-10(2)11-8-6-7-9-12(11)13(3,4)5/h10-12H,6-9H2,1-5H3
InChIKeyOGXFEEZLGWWKDS-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2-cyclohexylpropan-2-yl)-2-propan-2-ylcyclohexane
CID 154060450
trans-(1S,2R)-1-tert-butyl-2-propan-2-ylcyclopropane
CID 59026893
trans-(1R,2S)-1-tert-butyl-2-propan-2-ylcyclopropane
CID 167553604
(1S)-1,2-di(propan-2-yl)cyclopentane
CID 161356354
1-(2-tert-butylcyclohexyl)-1-dimethylsilyloxypropan-2-ol
CID 173272886
1-(2-tert-butylcyclopentyl)-2,2-difluoroethanol
CID 155261716
trans-(1R,2R)-1-tert-butyl-2-methylcyclohexane
CID 102398260
cis-(1R,2R)-2-tert-butylcyclohexan-1-ol
CID 6995536
[(1R,2S)-2-propan-2-ylcyclohexyl]methanamine
CID 166498577
2-propan-2-ylcyclohexane-1-thiol
CID 44558420
[(1S,2S)-2-tert-butylcyclohexyl]azanium
CID 7740789
1-tert-butyl-2,5-dimethyl-4-propan-2-ylcyclohexane
CID 177164103

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-propan-2-ylcyclohexane?
The IUPAC name of 1-tert-butyl-2-propan-2-ylcyclohexane (CID 59820112) is 1-tert-butyl-2-propan-2-ylcyclohexane.
What is the SMILES notation for 1-tert-butyl-2-propan-2-ylcyclohexane?
The canonical SMILES for 1-tert-butyl-2-propan-2-ylcyclohexane is CC(C)C1CCCCC1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-propan-2-ylcyclohexane?
The InChIKey is OGXFEEZLGWWKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-10(2)11-8-6-7-9-12(11)13(3,4)5/h10-12H,6-9H2,1-5H3.
What are the key properties of 1-tert-butyl-2-propan-2-ylcyclohexane?
1-tert-butyl-2-propan-2-ylcyclohexane has a molecular weight of 182.35 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-propan-2-ylcyclohexane is sourced from PubChem (CID 59820112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).