1-cyclohexyl-2-methylpropan-2-ol;ethane

C12H26O — CID 91251798

IUPAC1-cyclohexyl-2-methylpropan-2-ol;ethane
SMILESCC.CC(C)(O)CC1CCCCC1
InChIInChI=1S/C10H20O.C2H6/c1-10(2,11)8-9-6-4-3-5-7-9;1-2/h9,11H,3-8H2,1-2H3;1-2H3
InChIKeyPJSALNGWVBWWAP-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.75
Rot. Bonds2

About 1-cyclohexyl-2-methylpropan-2-ol;ethane

1-cyclohexyl-2-methylpropan-2-ol;ethane (PubChem CID 91251798) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 1-cyclohexyl-2-methylpropan-2-ol;ethane.

Molecular Properties

Compound Name1-cyclohexyl-2-methylpropan-2-ol;ethane
PubChem CID91251798
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name1-cyclohexyl-2-methylpropan-2-ol;ethane
SMILESCC.CC(C)(O)CC1CCCCC1
InChIInChI=1S/C10H20O.C2H6/c1-10(2,11)8-9-6-4-3-5-7-9;1-2/h9,11H,3-8H2,1-2H3;1-2H3
InChIKeyPJSALNGWVBWWAP-UHFFFAOYSA-N
XLogP3.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopentyl-2-methylpropan-2-ol
CID 18424051
1-cyclopropyl-2-methylpropan-2-ol;hydrochloride
CID 67125178
2-amino-1-cyclohexylpropan-2-ol
CID 57094409
1-(4-aminocyclohexyl)-2-methylpropan-2-ol
CID 83816306
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpropan-2-ol
CID 19985530
(3-bromo-2-cyclopropyl-2-methylpropyl)cyclohexane
CID 83150787
cyclohexylmethanol;1-cyclohexyl-2-methylpropan-2-ol;ethylcyclohexane;iodomethylcyclohexane;methane;propan-2-one
CID 158313623
cyclopentane;2,2-dimethylbutylcyclopentane;propane
CID 162289353
3-(cyclohexylmethyl)-3-hydroxy-4,4-dimethylpentanal
CID 87751411
4-cyclohexyl-3-hydroxy-2,3-dimethylbutanenitrile
CID 164645703
1-(3,3-difluorocyclopentyl)-2-methylpropan-2-ol
CID 130487394
3-[4-(2-hydroxy-2-methylpropyl)cyclohexyl]propanal
CID 155166872

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-methylpropan-2-ol;ethane?
The IUPAC name of 1-cyclohexyl-2-methylpropan-2-ol;ethane (CID 91251798) is 1-cyclohexyl-2-methylpropan-2-ol;ethane.
What is the SMILES notation for 1-cyclohexyl-2-methylpropan-2-ol;ethane?
The canonical SMILES for 1-cyclohexyl-2-methylpropan-2-ol;ethane is CC.CC(C)(O)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-methylpropan-2-ol;ethane?
The InChIKey is PJSALNGWVBWWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O.C2H6/c1-10(2,11)8-9-6-4-3-5-7-9;1-2/h9,11H,3-8H2,1-2H3;1-2H3.
What are the key properties of 1-cyclohexyl-2-methylpropan-2-ol;ethane?
1-cyclohexyl-2-methylpropan-2-ol;ethane has a molecular weight of 186.34 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-methylpropan-2-ol;ethane is sourced from PubChem (CID 91251798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).