2-(1-methylcyclohexyl)ethane-1,1-diol

C9H18O2 — CID 59872782

IUPAC2-(1-methylcyclohexyl)ethane-1,1-diol
SMILESCC1(CC(O)O)CCCCC1
InChIInChI=1S/C9H18O2/c1-9(7-8(10)11)5-3-2-4-6-9/h8,10-11H,2-7H2,1H3
InChIKeyKSCAJWVFWSJNKM-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.66
Rot. Bonds2

About 2-(1-methylcyclohexyl)ethane-1,1-diol

2-(1-methylcyclohexyl)ethane-1,1-diol (PubChem CID 59872782) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-(1-methylcyclohexyl)ethane-1,1-diol.

Molecular Properties

Compound Name2-(1-methylcyclohexyl)ethane-1,1-diol
PubChem CID59872782
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2-(1-methylcyclohexyl)ethane-1,1-diol
SMILESCC1(CC(O)O)CCCCC1
InChIInChI=1S/C9H18O2/c1-9(7-8(10)11)5-3-2-4-6-9/h8,10-11H,2-7H2,1H3
InChIKeyKSCAJWVFWSJNKM-UHFFFAOYSA-N
XLogP1.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1-difluoro-3-(1-methylcyclopentyl)propan-2-ol
CID 130578356
(1-methylcyclododecyl)methanol
CID 70130772
1-methyl-1-(2-methylbutyl)cyclopentane
CID 123846035
ethane;2-(methylamino)-1-(1-methylcyclohexyl)pentan-3-one
CID 142227947
2-(1-methylcyclobutyl)-1-(1-methylcyclopentyl)ethanamine
CID 130602100
(1-methylcyclooctyl)methanamine
CID 80603984
1-(bromomethyl)-1-methylcycloheptane
CID 131000310
methyl (2S)-2-amino-3-(1-methylcyclopentyl)propanoate
CID 58564877
2-(methylamino)-3-(1-methylcyclopentyl)propanoic acid
CID 67554583
[1-(methylamino)-3-(1-methylcyclohexyl)propan-2-yl]carbamic acid
CID 123916834
1-ethyl-1-methylcyclohexane;molecular hydrogen
CID 143091347
3-amino-2-methyl-1-(1-methylcyclopentyl)butan-2-ol
CID 130578289

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclohexyl)ethane-1,1-diol?
The IUPAC name of 2-(1-methylcyclohexyl)ethane-1,1-diol (CID 59872782) is 2-(1-methylcyclohexyl)ethane-1,1-diol.
What is the SMILES notation for 2-(1-methylcyclohexyl)ethane-1,1-diol?
The canonical SMILES for 2-(1-methylcyclohexyl)ethane-1,1-diol is CC1(CC(O)O)CCCCC1.
What is the InChIKey of 2-(1-methylcyclohexyl)ethane-1,1-diol?
The InChIKey is KSCAJWVFWSJNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-9(7-8(10)11)5-3-2-4-6-9/h8,10-11H,2-7H2,1H3.
What are the key properties of 2-(1-methylcyclohexyl)ethane-1,1-diol?
2-(1-methylcyclohexyl)ethane-1,1-diol has a molecular weight of 158.24 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclohexyl)ethane-1,1-diol is sourced from PubChem (CID 59872782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).