4-(3,3-dimethylbutyl)-2-methylcyclohexan-1-ol;ethane;propane

C18H40O — CID 145098680

IUPAC4-(3,3-dimethylbutyl)-2-methylcyclohexan-1-ol;ethane;propane
SMILESCC.CC1CC(CCC(C)(C)C)CCC1O.CCC
InChIInChI=1S/C13H26O.C3H8.C2H6/c1-10-9-11(5-6-12(10)14)7-8-13(2,3)4;1-3-2;1-2/h10-12,14H,5-9H2,1-4H3;3H2,1-2H3;1-2H3
InChIKeyZUDLIJYJHZGYQH-UHFFFAOYSA-N
MW272.52 g/mol
LogP6.05
Rot. Bonds2

About 4-(3,3-dimethylbutyl)-2-methylcyclohexan-1-ol;ethane;propane

4-(3,3-dimethylbutyl)-2-methylcyclohexan-1-ol;ethane;propane (PubChem CID 145098680) has the molecular formula C18H40O and a molecular weight of 272.52 g/mol. Its IUPAC name is 4-(3,3-dimethylbutyl)-2-methylcyclohexan-1-ol;ethane;propane.

Molecular Properties

Compound Name4-(3,3-dimethylbutyl)-2-methylcyclohexan-1-ol;ethane;propane
PubChem CID145098680
Molecular FormulaC18H40O
Molecular Weight272.52 g/mol
Exact Mass272.31
IUPAC Name4-(3,3-dimethylbutyl)-2-methylcyclohexan-1-ol;ethane;propane
SMILESCC.CC1CC(CCC(C)(C)C)CCC1O.CCC
InChIInChI=1S/C13H26O.C3H8.C2H6/c1-10-9-11(5-6-12(10)14)7-8-13(2,3)4;1-3-2;1-2/h10-12,14H,5-9H2,1-4H3;3H2,1-2H3;1-2H3
InChIKeyZUDLIJYJHZGYQH-UHFFFAOYSA-N
XLogP6.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.52
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-methyl-4-propylcyclohexan-1-ol
CID 177268723
ethane;2-methyl-4-(3-methylbutyl)cyclohexan-1-ol
CID 153331716
2-tert-butyl-5-(3,3-dimethylbutyl)cyclohexan-1-amine
CID 134285692
4-[2-(4-hydroxy-3-methylcyclohexyl)pentan-2-yl]-2-methylcyclohexan-1-ol
CID 139825054
4-[2-(4-hydroxy-3-methylcyclohexyl)hexan-2-yl]-2-methylcyclohexan-1-ol
CID 139825078
2-tert-butyl-4-(3,3-dimethylbutyl)cyclohexan-1-ol;2-tert-butyl-5-(3,3-dimethylbutyl)cyclohexan-1-ol;methane;1-methoxy-2-methylbutane
CID 159328298
(1S,2R,4S)-4-amino-2-methylcyclohexan-1-ol
CID 124537900
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
trans-(1R,3R)-3-(4,4-dimethylpentyl)cyclopentane-1-carboxylic acid
CID 71036933
2-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-ol
CID 63459622
4-ethyl-2-(3-hydroxy-3-methylbutyl)cyclohexan-1-ol
CID 79422405
(1R,2S,4R)-2,4-dimethylcyclohexan-1-ol
CID 12779510

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutyl)-2-methylcyclohexan-1-ol;ethane;propane?
The IUPAC name of 4-(3,3-dimethylbutyl)-2-methylcyclohexan-1-ol;ethane;propane (CID 145098680) is 4-(3,3-dimethylbutyl)-2-methylcyclohexan-1-ol;ethane;propane.
What is the SMILES notation for 4-(3,3-dimethylbutyl)-2-methylcyclohexan-1-ol;ethane;propane?
The canonical SMILES for 4-(3,3-dimethylbutyl)-2-methylcyclohexan-1-ol;ethane;propane is CC.CC1CC(CCC(C)(C)C)CCC1O.CCC.
What is the InChIKey of 4-(3,3-dimethylbutyl)-2-methylcyclohexan-1-ol;ethane;propane?
The InChIKey is ZUDLIJYJHZGYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O.C3H8.C2H6/c1-10-9-11(5-6-12(10)14)7-8-13(2,3)4;1-3-2;1-2/h10-12,14H,5-9H2,1-4H3;3H2,1-2H3;1-2H3.
What are the key properties of 4-(3,3-dimethylbutyl)-2-methylcyclohexan-1-ol;ethane;propane?
4-(3,3-dimethylbutyl)-2-methylcyclohexan-1-ol;ethane;propane has a molecular weight of 272.52 g/mol, XLogP of 6.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutyl)-2-methylcyclohexan-1-ol;ethane;propane is sourced from PubChem (CID 145098680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).