1-ethyl-4-(triethoxymethyl)cyclohexane

C15H30O3 — CID 65390728

IUPAC1-ethyl-4-(triethoxymethyl)cyclohexane
SMILESCCOC(OCC)(OCC)C1CCC(CC)CC1
InChIInChI=1S/C15H30O3/c1-5-13-9-11-14(12-10-13)15(16-6-2,17-7-3)18-8-4/h13-14H,5-12H2,1-4H3
InChIKeyIKXALQQCHPXZIM-UHFFFAOYSA-N
MW258.40 g/mol
LogP3.97
Rot. Bonds8

About 1-ethyl-4-(triethoxymethyl)cyclohexane

1-ethyl-4-(triethoxymethyl)cyclohexane (PubChem CID 65390728) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is 1-ethyl-4-(triethoxymethyl)cyclohexane.

Molecular Properties

Compound Name1-ethyl-4-(triethoxymethyl)cyclohexane
PubChem CID65390728
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Name1-ethyl-4-(triethoxymethyl)cyclohexane
SMILESCCOC(OCC)(OCC)C1CCC(CC)CC1
InChIInChI=1S/C15H30O3/c1-5-13-9-11-14(12-10-13)15(16-6-2,17-7-3)18-8-4/h13-14H,5-12H2,1-4H3
InChIKeyIKXALQQCHPXZIM-UHFFFAOYSA-N
XLogP3.97
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 53.97
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

triethoxymethylcyclobutane
CID 64986091
1-propan-2-yl-4-(triethoxymethyl)cyclohexane
CID 65400961
2-[3-(triethoxymethyl)cyclopentyl]acetaldehyde
CID 151450928
azane;ethylcyclopropane
CID 20975579
ethane;ethylcyclopropane
CID 91380076
[2-ethoxy-1-(4-ethylcyclohexyl)-2-methylpropyl]hydrazine
CID 105274085
1,4-diethylcyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane
CID 163450163
2-ethyl-2-(4-ethylcyclohexyl)butanoic acid
CID 79426228
1-ethyl-4-(2,4,4-trimethylpentan-2-yl)cyclohexane
CID 142995371
1-ethyl-4-[1,1,2,2-tetrafluoro-2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexane
CID 101139965
1-ethyl-4-(4-ethylcyclohexyl)cyclohexane
CID 19850408
chromium;bis(ethylcyclopentane)
CID 91996240

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(triethoxymethyl)cyclohexane?
The IUPAC name of 1-ethyl-4-(triethoxymethyl)cyclohexane (CID 65390728) is 1-ethyl-4-(triethoxymethyl)cyclohexane.
What is the SMILES notation for 1-ethyl-4-(triethoxymethyl)cyclohexane?
The canonical SMILES for 1-ethyl-4-(triethoxymethyl)cyclohexane is CCOC(OCC)(OCC)C1CCC(CC)CC1.
What is the InChIKey of 1-ethyl-4-(triethoxymethyl)cyclohexane?
The InChIKey is IKXALQQCHPXZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3/c1-5-13-9-11-14(12-10-13)15(16-6-2,17-7-3)18-8-4/h13-14H,5-12H2,1-4H3.
What are the key properties of 1-ethyl-4-(triethoxymethyl)cyclohexane?
1-ethyl-4-(triethoxymethyl)cyclohexane has a molecular weight of 258.40 g/mol, XLogP of 3.97, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(triethoxymethyl)cyclohexane is sourced from PubChem (CID 65390728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).