[ethyl(methoxy)phosphoryl]cyclohexane

C9H19O2P — CID 66729718

IUPAC[ethyl(methoxy)phosphoryl]cyclohexane
SMILESCCP(=O)(OC)C1CCCCC1
InChIInChI=1S/C9H19O2P/c1-3-12(10,11-2)9-7-5-4-6-8-9/h9H,3-8H2,1-2H3
InChIKeySUNWPDOCWQZIKE-UHFFFAOYSA-N
MW190.22 g/mol
LogP3.26
Rot. Bonds3

About [ethyl(methoxy)phosphoryl]cyclohexane

[ethyl(methoxy)phosphoryl]cyclohexane (PubChem CID 66729718) has the molecular formula C9H19O2P and a molecular weight of 190.22 g/mol. Its IUPAC name is [ethyl(methoxy)phosphoryl]cyclohexane.

Molecular Properties

Compound Name[ethyl(methoxy)phosphoryl]cyclohexane
PubChem CID66729718
Molecular FormulaC9H19O2P
Molecular Weight190.22 g/mol
Exact Mass190.11
IUPAC Name[ethyl(methoxy)phosphoryl]cyclohexane
SMILESCCP(=O)(OC)C1CCCCC1
InChIInChI=1S/C9H19O2P/c1-3-12(10,11-2)9-7-5-4-6-8-9/h9H,3-8H2,1-2H3
InChIKeySUNWPDOCWQZIKE-UHFFFAOYSA-N
XLogP3.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[ethoxy(ethyl)phosphoryl]cyclohexane
CID 66729675
[butyl(methoxy)phosphoryl]cyclopentane
CID 174817871
[cyclohexyl(ethoxy)phosphoryl]cyclohexane;[cyclopentyl(ethoxy)phosphoryl]cyclopentane
CID 87645373
[ethoxy(2,2,2-trifluoroethyl)phosphoryl]cyclohexane
CID 66796520
[butoxy(methoxy)phosphoryl]cyclohexane
CID 87127819
[cyclohexyl(methoxy)phosphoryl] hypofluorite
CID 175039350
[ethyl(methoxy)phosphoryl]oxycyclopentane
CID 87128122
3-[cyclopentyl(ethoxy)phosphoryl]propan-1-ol
CID 122209368
[ethyl(2,2,2-trifluoroethyl)phosphoryl]cyclohexane
CID 66729730
1-cyclohexyl-2-dimethoxyphosphorylethanone
CID 13187487
dicyclopentylphosphorylcyclohexane
CID 177406372
[ethyl(methyl)phosphoryl]oxycyclohexane
CID 66729701

Frequently Asked Questions

What is the IUPAC name of [ethyl(methoxy)phosphoryl]cyclohexane?
The IUPAC name of [ethyl(methoxy)phosphoryl]cyclohexane (CID 66729718) is [ethyl(methoxy)phosphoryl]cyclohexane.
What is the SMILES notation for [ethyl(methoxy)phosphoryl]cyclohexane?
The canonical SMILES for [ethyl(methoxy)phosphoryl]cyclohexane is CCP(=O)(OC)C1CCCCC1.
What is the InChIKey of [ethyl(methoxy)phosphoryl]cyclohexane?
The InChIKey is SUNWPDOCWQZIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O2P/c1-3-12(10,11-2)9-7-5-4-6-8-9/h9H,3-8H2,1-2H3.
What are the key properties of [ethyl(methoxy)phosphoryl]cyclohexane?
[ethyl(methoxy)phosphoryl]cyclohexane has a molecular weight of 190.22 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl(methoxy)phosphoryl]cyclohexane is sourced from PubChem (CID 66729718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).