1,1,3-triethoxycyclohexane

C12H24O3 — CID 23298942

IUPAC1,1,3-triethoxycyclohexane
SMILESCCOC1CCCC(OCC)(OCC)C1
InChIInChI=1S/C12H24O3/c1-4-13-11-8-7-9-12(10-11,14-5-2)15-6-3/h11H,4-10H2,1-3H3
InChIKeyNOTUZOWIVBFLNL-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.73
Rot. Bonds6

About 1,1,3-triethoxycyclohexane

1,1,3-triethoxycyclohexane (PubChem CID 23298942) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 1,1,3-triethoxycyclohexane.

Molecular Properties

Compound Name1,1,3-triethoxycyclohexane
PubChem CID23298942
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name1,1,3-triethoxycyclohexane
SMILESCCOC1CCCC(OCC)(OCC)C1
InChIInChI=1S/C12H24O3/c1-4-13-11-8-7-9-12(10-11,14-5-2)15-6-3/h11H,4-10H2,1-3H3
InChIKeyNOTUZOWIVBFLNL-UHFFFAOYSA-N
XLogP2.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.73
H-Bond Donors ≤ 50
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

ethoxycyclooctane
CID 13427982
1,1,3,3-tetraethoxycyclohexane
CID 151917056
azane;ethoxycyclooctane
CID 70271275
1-ethoxy-1-(1-ethoxycyclohexyl)oxycyclohexane
CID 154120160
4-ethoxy-2,2,7,7-tetramethylazepane
CID 122414797
1,1-diethoxycyclopropane;sulfane
CID 175457696
2-(4-ethoxy-1-iodocycloheptyl)acetonitrile
CID 130283318
4,4-diethoxycyclohexene
CID 157062589
2-ethoxy-7-propan-2-ylspiro[3.5]nonane
CID 176983956
4,4-diethoxy-1,2-dimethylpiperidine
CID 45093899
1-(4-ethoxycyclohexyl)cyclohexan-1-amine
CID 66769157
6-ethoxy-1-azaspiro[3.3]heptane
CID 106824536

Frequently Asked Questions

What is the IUPAC name of 1,1,3-triethoxycyclohexane?
The IUPAC name of 1,1,3-triethoxycyclohexane (CID 23298942) is 1,1,3-triethoxycyclohexane.
What is the SMILES notation for 1,1,3-triethoxycyclohexane?
The canonical SMILES for 1,1,3-triethoxycyclohexane is CCOC1CCCC(OCC)(OCC)C1.
What is the InChIKey of 1,1,3-triethoxycyclohexane?
The InChIKey is NOTUZOWIVBFLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-4-13-11-8-7-9-12(10-11,14-5-2)15-6-3/h11H,4-10H2,1-3H3.
What are the key properties of 1,1,3-triethoxycyclohexane?
1,1,3-triethoxycyclohexane has a molecular weight of 216.32 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-triethoxycyclohexane is sourced from PubChem (CID 23298942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).