2,2-diethylcyclohexane-1,1-diol

C10H20O2 — CID 151551074

IUPAC2,2-diethylcyclohexane-1,1-diol
SMILESCCC1(CC)CCCCC1(O)O
InChIInChI=1S/C10H20O2/c1-3-9(4-2)7-5-6-8-10(9,11)12/h11-12H,3-8H2,1-2H3
InChIKeyQAMPIQOQKFUEQQ-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.05
Rot. Bonds2

About 2,2-diethylcyclohexane-1,1-diol

2,2-diethylcyclohexane-1,1-diol (PubChem CID 151551074) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2,2-diethylcyclohexane-1,1-diol.

Molecular Properties

Compound Name2,2-diethylcyclohexane-1,1-diol
PubChem CID151551074
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2,2-diethylcyclohexane-1,1-diol
SMILESCCC1(CC)CCCCC1(O)O
InChIInChI=1S/C10H20O2/c1-3-9(4-2)7-5-6-8-10(9,11)12/h11-12H,3-8H2,1-2H3
InChIKeyQAMPIQOQKFUEQQ-UHFFFAOYSA-N
XLogP2.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.05
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-Tert-butylcyclohexan-1-ol
CID 287917
1,2,2-Trimethylcyclohexan-1-ol
CID 5463846
1,2,2,6,6-Pentamethylcyclohexan-1-ol
CID 12772253
Dimethylcyclohexandiol
CID 19096530
1-(3-Hydroxy-3-methylbutyl)cyclohexan-1-ol
CID 57305534
Dihydroxycyclohexylpropane
CID 67461264
Spiro[4.5]decane-4,4-diol
CID 90704370
Dioxyspiro[5.5]undecane
CID 129802069
Bicyclo[2.2.1]heptan-2-ol, 2,7,7-trimethyl, exo
CID 6431626
2-Tert-butyl-1-methylcyclohexan-1-ol
CID 530356
2-Butylcyclohexane-1,1-diol
CID 21688261
trans-(1R,2R)-2-tert-butyl-1-methylcyclohexan-1-ol
CID 23305114

Frequently Asked Questions

What is the IUPAC name of 2,2-diethylcyclohexane-1,1-diol?
The IUPAC name of 2,2-diethylcyclohexane-1,1-diol (CID 151551074) is 2,2-diethylcyclohexane-1,1-diol.
What is the SMILES notation for 2,2-diethylcyclohexane-1,1-diol?
The canonical SMILES for 2,2-diethylcyclohexane-1,1-diol is CCC1(CC)CCCCC1(O)O.
What is the InChIKey of 2,2-diethylcyclohexane-1,1-diol?
The InChIKey is QAMPIQOQKFUEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-9(4-2)7-5-6-8-10(9,11)12/h11-12H,3-8H2,1-2H3.
What are the key properties of 2,2-diethylcyclohexane-1,1-diol?
2,2-diethylcyclohexane-1,1-diol has a molecular weight of 172.27 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethylcyclohexane-1,1-diol is sourced from PubChem (CID 151551074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).