[methoxy(propyl)phosphoryl]oxycyclohexane

C10H21O3P — CID 86086183

IUPAC[methoxy(propyl)phosphoryl]oxycyclohexane
SMILESCCCP(=O)(OC)OC1CCCCC1
InChIInChI=1S/C10H21O3P/c1-3-9-14(11,12-2)13-10-7-5-4-6-8-10/h10H,3-9H2,1-2H3
InChIKeyJLZOQXUINBHYNC-UHFFFAOYSA-N
MW220.25 g/mol
LogP3.59
Rot. Bonds5

About [methoxy(propyl)phosphoryl]oxycyclohexane

[methoxy(propyl)phosphoryl]oxycyclohexane (PubChem CID 86086183) has the molecular formula C10H21O3P and a molecular weight of 220.25 g/mol. Its IUPAC name is [methoxy(propyl)phosphoryl]oxycyclohexane.

Molecular Properties

Compound Name[methoxy(propyl)phosphoryl]oxycyclohexane
PubChem CID86086183
Molecular FormulaC10H21O3P
Molecular Weight220.25 g/mol
Exact Mass220.12
IUPAC Name[methoxy(propyl)phosphoryl]oxycyclohexane
SMILESCCCP(=O)(OC)OC1CCCCC1
InChIInChI=1S/C10H21O3P/c1-3-9-14(11,12-2)13-10-7-5-4-6-8-10/h10H,3-9H2,1-2H3
InChIKeyJLZOQXUINBHYNC-UHFFFAOYSA-N
XLogP3.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [methoxy(propyl)phosphoryl]oxycyclohexane?
The IUPAC name of [methoxy(propyl)phosphoryl]oxycyclohexane (CID 86086183) is [methoxy(propyl)phosphoryl]oxycyclohexane.
What is the SMILES notation for [methoxy(propyl)phosphoryl]oxycyclohexane?
The canonical SMILES for [methoxy(propyl)phosphoryl]oxycyclohexane is CCCP(=O)(OC)OC1CCCCC1.
What is the InChIKey of [methoxy(propyl)phosphoryl]oxycyclohexane?
The InChIKey is JLZOQXUINBHYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O3P/c1-3-9-14(11,12-2)13-10-7-5-4-6-8-10/h10H,3-9H2,1-2H3.
What are the key properties of [methoxy(propyl)phosphoryl]oxycyclohexane?
[methoxy(propyl)phosphoryl]oxycyclohexane has a molecular weight of 220.25 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxy(propyl)phosphoryl]oxycyclohexane is sourced from PubChem (CID 86086183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).