3-(2-dimethylphosphorylethoxymethyl)cyclohexane-1-carbaldehyde

C12H23O3P — CID 59132166

IUPAC3-(2-dimethylphosphorylethoxymethyl)cyclohexane-1-carbaldehyde
SMILESCP(C)(=O)CCOCC1CCCC(C=O)C1
InChIInChI=1S/C12H23O3P/c1-16(2,14)7-6-15-10-12-5-3-4-11(8-12)9-13/h9,11-12H,3-8,10H2,1-2H3
InChIKeyVDKPMPWJUKJQEU-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.63
Rot. Bonds6

About 3-(2-dimethylphosphorylethoxymethyl)cyclohexane-1-carbaldehyde

3-(2-dimethylphosphorylethoxymethyl)cyclohexane-1-carbaldehyde (PubChem CID 59132166) has the molecular formula C12H23O3P and a molecular weight of 246.29 g/mol. Its IUPAC name is 3-(2-dimethylphosphorylethoxymethyl)cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name3-(2-dimethylphosphorylethoxymethyl)cyclohexane-1-carbaldehyde
PubChem CID59132166
Molecular FormulaC12H23O3P
Molecular Weight246.29 g/mol
Exact Mass246.14
IUPAC Name3-(2-dimethylphosphorylethoxymethyl)cyclohexane-1-carbaldehyde
SMILESCP(C)(=O)CCOCC1CCCC(C=O)C1
InChIInChI=1S/C12H23O3P/c1-16(2,14)7-6-15-10-12-5-3-4-11(8-12)9-13/h9,11-12H,3-8,10H2,1-2H3
InChIKeyVDKPMPWJUKJQEU-UHFFFAOYSA-N
XLogP2.63
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-butylcyclohexane-1-carbaldehyde
CID 14619447
cyclohexane-1,3-dicarbaldehyde
CID 23496622
3-(3-oxopropyl)cyclohexane-1-carbaldehyde
CID 21192038
2-diethoxyphosphorylethoxymethylcyclopentane
CID 174164242
3-[5-(3-ethylcyclohexyl)pentyl]cyclohexane-1-carbaldehyde
CID 88959977
3-[8-(3,5-dimethylcyclohexyl)octyl]cyclohexane-1-carbaldehyde
CID 88960047
3-(3-oxopropyl)cyclohexane-1-carbaldehyde;4-(3-oxopropyl)cyclohexane-1-carbaldehyde
CID 139330246
cyclooctane-1,5-dicarbaldehyde
CID 18542113
cyclopentadecane-1,5-dicarbaldehyde
CID 135390185
cyclohexanecarbaldehyde;cyclohexylmethyl formate;ethane
CID 174908022
3-[(2S)-1-oxopropan-2-yl]cyclohexane-1-carbaldehyde
CID 88986054
2-(cyclobutylmethoxy)-N-ethylethanamine
CID 65457853

Frequently Asked Questions

What is the IUPAC name of 3-(2-dimethylphosphorylethoxymethyl)cyclohexane-1-carbaldehyde?
The IUPAC name of 3-(2-dimethylphosphorylethoxymethyl)cyclohexane-1-carbaldehyde (CID 59132166) is 3-(2-dimethylphosphorylethoxymethyl)cyclohexane-1-carbaldehyde.
What is the SMILES notation for 3-(2-dimethylphosphorylethoxymethyl)cyclohexane-1-carbaldehyde?
The canonical SMILES for 3-(2-dimethylphosphorylethoxymethyl)cyclohexane-1-carbaldehyde is CP(C)(=O)CCOCC1CCCC(C=O)C1.
What is the InChIKey of 3-(2-dimethylphosphorylethoxymethyl)cyclohexane-1-carbaldehyde?
The InChIKey is VDKPMPWJUKJQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23O3P/c1-16(2,14)7-6-15-10-12-5-3-4-11(8-12)9-13/h9,11-12H,3-8,10H2,1-2H3.
What are the key properties of 3-(2-dimethylphosphorylethoxymethyl)cyclohexane-1-carbaldehyde?
3-(2-dimethylphosphorylethoxymethyl)cyclohexane-1-carbaldehyde has a molecular weight of 246.29 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-dimethylphosphorylethoxymethyl)cyclohexane-1-carbaldehyde is sourced from PubChem (CID 59132166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).