ethane;2-methyl-4-(3-methylbutyl)cyclohexan-1-ol

C14H30O — CID 153331716

IUPACethane;2-methyl-4-(3-methylbutyl)cyclohexan-1-ol
SMILESCC.CC(C)CCC1CCC(O)C(C)C1
InChIInChI=1S/C12H24O.C2H6/c1-9(2)4-5-11-6-7-12(13)10(3)8-11;1-2/h9-13H,4-8H2,1-3H3;1-2H3
InChIKeyHNFBNJUSHWRXFE-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.25
Rot. Bonds3

About ethane;2-methyl-4-(3-methylbutyl)cyclohexan-1-ol

ethane;2-methyl-4-(3-methylbutyl)cyclohexan-1-ol (PubChem CID 153331716) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is ethane;2-methyl-4-(3-methylbutyl)cyclohexan-1-ol.

Molecular Properties

Compound Nameethane;2-methyl-4-(3-methylbutyl)cyclohexan-1-ol
PubChem CID153331716
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Nameethane;2-methyl-4-(3-methylbutyl)cyclohexan-1-ol
SMILESCC.CC(C)CCC1CCC(O)C(C)C1
InChIInChI=1S/C12H24O.C2H6/c1-9(2)4-5-11-6-7-12(13)10(3)8-11;1-2/h9-13H,4-8H2,1-3H3;1-2H3
InChIKeyHNFBNJUSHWRXFE-UHFFFAOYSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-methyl-4-propylcyclohexan-1-ol
CID 177268723
(1S)-1-methyl-3-(3-methylbutyl)cyclopentane
CID 148998562
2-ethyl-5-(3-methylbutyl)cyclohexan-1-ol
CID 145005052
4-(3,3-dimethylbutyl)-2-methylcyclohexan-1-ol;ethane;propane
CID 145098680
4-ethyl-2-methyl-1-(3-methylbutyl)cyclohexane
CID 143714576
4-(3-bromobutyl)-1,2-dimethylcyclohexane
CID 64738699
1-[2-[methoxy(dimethyl)silyl]ethoxy]propan-2-ol;4-[2-[methoxy(dimethyl)silyl]ethyl]-2-methylcyclohexan-1-ol
CID 161271829
4-[[4-hydroxy-3-[(4-hydroxy-3-methylcyclohexyl)methyl]-2,5-dimethylcyclohexyl]methyl]-2-[(4-hydroxy-3-methylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol
CID 140524923
2-pentan-2-yl-4-propylcyclohexan-1-ol
CID 107885956
(1S,2R,4S)-4-amino-2-methylcyclohexan-1-ol
CID 124537900
2-methyl-5-(3-methylbutyl)piperidine
CID 104823506
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-4-(3-methylbutyl)cyclohexan-1-ol?
The IUPAC name of ethane;2-methyl-4-(3-methylbutyl)cyclohexan-1-ol (CID 153331716) is ethane;2-methyl-4-(3-methylbutyl)cyclohexan-1-ol.
What is the SMILES notation for ethane;2-methyl-4-(3-methylbutyl)cyclohexan-1-ol?
The canonical SMILES for ethane;2-methyl-4-(3-methylbutyl)cyclohexan-1-ol is CC.CC(C)CCC1CCC(O)C(C)C1.
What is the InChIKey of ethane;2-methyl-4-(3-methylbutyl)cyclohexan-1-ol?
The InChIKey is HNFBNJUSHWRXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O.C2H6/c1-9(2)4-5-11-6-7-12(13)10(3)8-11;1-2/h9-13H,4-8H2,1-3H3;1-2H3.
What are the key properties of ethane;2-methyl-4-(3-methylbutyl)cyclohexan-1-ol?
ethane;2-methyl-4-(3-methylbutyl)cyclohexan-1-ol has a molecular weight of 214.39 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-4-(3-methylbutyl)cyclohexan-1-ol is sourced from PubChem (CID 153331716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).