methanol;2-methylbutylcyclohexane

C12H26O — CID 91426413

IUPACmethanol;2-methylbutylcyclohexane
SMILESCCC(C)CC1CCCCC1.CO
InChIInChI=1S/C11H22.CH4O/c1-3-10(2)9-11-7-5-4-6-8-11;1-2/h10-11H,3-9H2,1-2H3;2H,1H3
InChIKeyKNJKCZCNPYSYSU-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.61
Rot. Bonds3

About methanol;2-methylbutylcyclohexane

methanol;2-methylbutylcyclohexane (PubChem CID 91426413) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is methanol;2-methylbutylcyclohexane.

Molecular Properties

Compound Namemethanol;2-methylbutylcyclohexane
PubChem CID91426413
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Namemethanol;2-methylbutylcyclohexane
SMILESCCC(C)CC1CCCCC1.CO
InChIInChI=1S/C11H22.CH4O/c1-3-10(2)9-11-7-5-4-6-8-11;1-2/h10-11H,3-9H2,1-2H3;2H,1H3
InChIKeyKNJKCZCNPYSYSU-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Pentylcyclohexane;hydrate
CID 57519698
1,3-Dimethylcyclohexane;ethanol
CID 19778863
Methanol;methylcyclohexane
CID 20094686
Methanol;pentylcyclohexane
CID 20497784
Methanol;propan-2-ylcyclohexane
CID 53411063
1,3-Dimethylcyclohexane;methanol
CID 53422897
Ethane;methanol;2-methylbutan-2-ylcyclohexane
CID 53885437
Ethanol;1-methyl-4-propan-2-ylcyclohexane
CID 67175458
Cyclohexylcyclohexane;ethanol
CID 67204391
Ethanol;propan-2-ylcyclohexane
CID 67568049
1,1-Dimethylcyclohexane;methanol
CID 67588027
Ethanol;propylcyclohexane
CID 68534544

Frequently Asked Questions

What is the IUPAC name of methanol;2-methylbutylcyclohexane?
The IUPAC name of methanol;2-methylbutylcyclohexane (CID 91426413) is methanol;2-methylbutylcyclohexane.
What is the SMILES notation for methanol;2-methylbutylcyclohexane?
The canonical SMILES for methanol;2-methylbutylcyclohexane is CCC(C)CC1CCCCC1.CO.
What is the InChIKey of methanol;2-methylbutylcyclohexane?
The InChIKey is KNJKCZCNPYSYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22.CH4O/c1-3-10(2)9-11-7-5-4-6-8-11;1-2/h10-11H,3-9H2,1-2H3;2H,1H3.
What are the key properties of methanol;2-methylbutylcyclohexane?
methanol;2-methylbutylcyclohexane has a molecular weight of 186.34 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2-methylbutylcyclohexane is sourced from PubChem (CID 91426413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).