2-(diethoxymethyl)cyclohexan-1-ol

C11H22O3 — CID 13029006

IUPAC2-(diethoxymethyl)cyclohexan-1-ol
SMILESCCOC(OCC)C1CCCCC1O
InChIInChI=1S/C11H22O3/c1-3-13-11(14-4-2)9-7-5-6-8-10(9)12/h9-12H,3-8H2,1-2H3
InChIKeyZTXPZFBBXRHPRX-UHFFFAOYSA-N
MW202.29 g/mol
LogP1.94
Rot. Bonds5

About 2-(diethoxymethyl)cyclohexan-1-ol

2-(diethoxymethyl)cyclohexan-1-ol (PubChem CID 13029006) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2-(diethoxymethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(diethoxymethyl)cyclohexan-1-ol
PubChem CID13029006
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2-(diethoxymethyl)cyclohexan-1-ol
SMILESCCOC(OCC)C1CCCCC1O
InChIInChI=1S/C11H22O3/c1-3-13-11(14-4-2)9-7-5-6-8-10(9)12/h9-12H,3-8H2,1-2H3
InChIKeyZTXPZFBBXRHPRX-UHFFFAOYSA-N
XLogP1.94
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.94
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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Frequently Asked Questions

What is the IUPAC name of 2-(diethoxymethyl)cyclohexan-1-ol?
The IUPAC name of 2-(diethoxymethyl)cyclohexan-1-ol (CID 13029006) is 2-(diethoxymethyl)cyclohexan-1-ol.
What is the SMILES notation for 2-(diethoxymethyl)cyclohexan-1-ol?
The canonical SMILES for 2-(diethoxymethyl)cyclohexan-1-ol is CCOC(OCC)C1CCCCC1O.
What is the InChIKey of 2-(diethoxymethyl)cyclohexan-1-ol?
The InChIKey is ZTXPZFBBXRHPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-3-13-11(14-4-2)9-7-5-6-8-10(9)12/h9-12H,3-8H2,1-2H3.
What are the key properties of 2-(diethoxymethyl)cyclohexan-1-ol?
2-(diethoxymethyl)cyclohexan-1-ol has a molecular weight of 202.29 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethoxymethyl)cyclohexan-1-ol is sourced from PubChem (CID 13029006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).