(3,3-dimethylcyclohexyl)methanol

C9H18O — CID 14034040

IUPAC(3,3-dimethylcyclohexyl)methanol
SMILESCC1(C)CCCC(CO)C1
InChIInChI=1S/C9H18O/c1-9(2)5-3-4-8(6-9)7-10/h8,10H,3-7H2,1-2H3
InChIKeyVJZDBRGSBDTGKQ-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.20
Rot. Bonds1

About (3,3-dimethylcyclohexyl)methanol

(3,3-dimethylcyclohexyl)methanol (PubChem CID 14034040) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (3,3-dimethylcyclohexyl)methanol.

Molecular Properties

Compound Name(3,3-dimethylcyclohexyl)methanol
PubChem CID14034040
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(3,3-dimethylcyclohexyl)methanol
SMILESCC1(C)CCCC(CO)C1
InChIInChI=1S/C9H18O/c1-9(2)5-3-4-8(6-9)7-10/h8,10H,3-7H2,1-2H3
InChIKeyVJZDBRGSBDTGKQ-UHFFFAOYSA-N
XLogP2.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(1S)-3,3-dimethylcyclopentyl]methanol
CID 159914707
[(7S)-spiro[2.5]octan-7-yl]methanol
CID 163342255
(2,2-difluorospiro[2.5]octan-7-yl)methanol
CID 155893433
1,1-dimethyl-3-(methylperoxymethyl)cyclohexane
CID 163495492
1,1-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclohexane
CID 56980867
2-(3,3-dimethylcyclohexyl)-N-(3-hydroxypropyl)acetamide
CID 109468073
1-(3,3-dimethylcyclohexyl)-4-methylpentan-2-one
CID 57219007
2-(3,3-dimethylcyclopentyl)ethanol
CID 84648793
(1S)-N-(cyclopropylmethyl)-3,3-dimethylcyclohexan-1-amine
CID 95371246
3-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 113263610
(5,5-dimethylcyclononyl)methanamine
CID 129138997
1-cyclobutyl-2-[(3,3-dimethylcyclohexyl)methyl]guanidine
CID 122098227

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylcyclohexyl)methanol?
The IUPAC name of (3,3-dimethylcyclohexyl)methanol (CID 14034040) is (3,3-dimethylcyclohexyl)methanol.
What is the SMILES notation for (3,3-dimethylcyclohexyl)methanol?
The canonical SMILES for (3,3-dimethylcyclohexyl)methanol is CC1(C)CCCC(CO)C1.
What is the InChIKey of (3,3-dimethylcyclohexyl)methanol?
The InChIKey is VJZDBRGSBDTGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-9(2)5-3-4-8(6-9)7-10/h8,10H,3-7H2,1-2H3.
What are the key properties of (3,3-dimethylcyclohexyl)methanol?
(3,3-dimethylcyclohexyl)methanol has a molecular weight of 142.24 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylcyclohexyl)methanol is sourced from PubChem (CID 14034040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).