1,1-bis(diethoxyphosphoryl)cyclohexane

C14H30O6P2 — CID 14689987

IUPAC1,1-bis(diethoxyphosphoryl)cyclohexane
SMILESCCOP(=O)(OCC)C1(P(=O)(OCC)OCC)CCCCC1
InChIInChI=1S/C14H30O6P2/c1-5-17-21(15,18-6-2)14(12-10-9-11-13-14)22(16,19-7-3)20-8-4/h5-13H2,1-4H3
InChIKeyAWEOAKYYWLUKPC-UHFFFAOYSA-N
MW356.34 g/mol
LogP5.18
Rot. Bonds10

About 1,1-bis(diethoxyphosphoryl)cyclohexane

1,1-bis(diethoxyphosphoryl)cyclohexane (PubChem CID 14689987) has the molecular formula C14H30O6P2 and a molecular weight of 356.34 g/mol. Its IUPAC name is 1,1-bis(diethoxyphosphoryl)cyclohexane.

Molecular Properties

Compound Name1,1-bis(diethoxyphosphoryl)cyclohexane
PubChem CID14689987
Molecular FormulaC14H30O6P2
Molecular Weight356.34 g/mol
Exact Mass356.15
IUPAC Name1,1-bis(diethoxyphosphoryl)cyclohexane
SMILESCCOP(=O)(OCC)C1(P(=O)(OCC)OCC)CCCCC1
InChIInChI=1S/C14H30O6P2/c1-5-17-21(15,18-6-2)14(12-10-9-11-13-14)22(16,19-7-3)20-8-4/h5-13H2,1-4H3
InChIKeyAWEOAKYYWLUKPC-UHFFFAOYSA-N
XLogP5.18
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.34
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-diethoxyphosphoryl-2-methylcyclohexan-1-one
CID 11791525
1-(2-diethoxyphosphorylethyl)cyclohexan-1-ol
CID 155934132
azanium 1-diethoxyphosphorylcyclopentane-1-carboxylate
CID 2840419
1,1-bis[di(propan-2-yloxy)phosphoryl]cycloheptane
CID 15067933
2-diethoxyphosphoryl-2-methylpyrrolidine
CID 5007980
tert-butyl 1-diethoxyphosphorylcyclopentane-1-carboxylate
CID 11808932
3,3-bis(diethoxyphosphoryl)cyclohexene
CID 19821537
methyl 1-(diethoxyphosphorylamino)cyclohexane-1-carboxylate
CID 110192724
tert-butyl-(1-diethoxyphosphorylcyclopropyl)-dimethylsilane
CID 99771569
2-diethoxyphosphoryl-2,3,3-trimethyloxirane
CID 24975893
(2R)-2-diethoxyphosphoryl-2,5-dimethyl-3,4-dihydropyrrole
CID 11424790
1-(diethoxyphosphorylmethyl)cyclopentane-1-carboxylic acid
CID 54082256

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(diethoxyphosphoryl)cyclohexane?
The IUPAC name of 1,1-bis(diethoxyphosphoryl)cyclohexane (CID 14689987) is 1,1-bis(diethoxyphosphoryl)cyclohexane.
What is the SMILES notation for 1,1-bis(diethoxyphosphoryl)cyclohexane?
The canonical SMILES for 1,1-bis(diethoxyphosphoryl)cyclohexane is CCOP(=O)(OCC)C1(P(=O)(OCC)OCC)CCCCC1.
What is the InChIKey of 1,1-bis(diethoxyphosphoryl)cyclohexane?
The InChIKey is AWEOAKYYWLUKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O6P2/c1-5-17-21(15,18-6-2)14(12-10-9-11-13-14)22(16,19-7-3)20-8-4/h5-13H2,1-4H3.
What are the key properties of 1,1-bis(diethoxyphosphoryl)cyclohexane?
1,1-bis(diethoxyphosphoryl)cyclohexane has a molecular weight of 356.34 g/mol, XLogP of 5.18, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(diethoxyphosphoryl)cyclohexane is sourced from PubChem (CID 14689987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).