2,2-diethoxycyclohexan-1-ol

C10H20O3 — CID 85385417

IUPAC2,2-diethoxycyclohexan-1-ol
SMILESCCOC1(OCC)CCCCC1O
InChIInChI=1S/C10H20O3/c1-3-12-10(13-4-2)8-6-5-7-9(10)11/h9,11H,3-8H2,1-2H3
InChIKeyUIBZIWAIZWOKDE-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.69
Rot. Bonds4

About 2,2-diethoxycyclohexan-1-ol

2,2-diethoxycyclohexan-1-ol (PubChem CID 85385417) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2,2-diethoxycyclohexan-1-ol.

Molecular Properties

Compound Name2,2-diethoxycyclohexan-1-ol
PubChem CID85385417
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2,2-diethoxycyclohexan-1-ol
SMILESCCOC1(OCC)CCCCC1O
InChIInChI=1S/C10H20O3/c1-3-12-10(13-4-2)8-6-5-7-9(10)11/h9,11H,3-8H2,1-2H3
InChIKeyUIBZIWAIZWOKDE-UHFFFAOYSA-N
XLogP1.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-fluoro-2-hydroxycyclohexane-1-carboxylate
CID 19783078
(5R,11S)-spiro[5.5]undecane-5,11-diol
CID 10997722
2,2-dimethylcyclohexan-1-ol
CID 557637
(4S,5R,10R)-spiro[4.5]decane-4,10-diol
CID 14934378
2-(aminomethyl)-2-ethylcyclohexan-1-ol
CID 65395057
(4S,5R)-spiro[4.5]decane-4,10-diol
CID 135069767
1-propylcyclodecane-1,2-diol
CID 173377333
1-ethoxybicyclo[10.1.0]tridecane
CID 154110609
(4S,5R,12R)-spiro[4.7]dodecane-4,12-diol
CID 11127251
cis-ethyl (1R,2R)-2-hydroxy-1-prop-2-enylcyclohexane-1-carboxylate
CID 101032729
1-ethoxy-1-(trifluoromethyl)cyclopentane
CID 164600656
trans-(1S,2S)-1-tert-butylcyclohexane-1,2-diol
CID 11969728

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxycyclohexan-1-ol?
The IUPAC name of 2,2-diethoxycyclohexan-1-ol (CID 85385417) is 2,2-diethoxycyclohexan-1-ol.
What is the SMILES notation for 2,2-diethoxycyclohexan-1-ol?
The canonical SMILES for 2,2-diethoxycyclohexan-1-ol is CCOC1(OCC)CCCCC1O.
What is the InChIKey of 2,2-diethoxycyclohexan-1-ol?
The InChIKey is UIBZIWAIZWOKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-3-12-10(13-4-2)8-6-5-7-9(10)11/h9,11H,3-8H2,1-2H3.
What are the key properties of 2,2-diethoxycyclohexan-1-ol?
2,2-diethoxycyclohexan-1-ol has a molecular weight of 188.27 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxycyclohexan-1-ol is sourced from PubChem (CID 85385417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).