[ethoxy(ethyl)phosphoryl]oxycyclohexane

C10H21O3P — CID 87127831

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

About [ethoxy(ethyl)phosphoryl]oxycyclohexane

[ethoxy(ethyl)phosphoryl]oxycyclohexane (PubChem CID 87127831) has the molecular formula C10H21O3P and a molecular weight of 220.25 g/mol. Its IUPAC name is [ethoxy(ethyl)phosphoryl]oxycyclohexane.

Molecular Properties

Compound Name[ethoxy(ethyl)phosphoryl]oxycyclohexane
PubChem CID87127831
Molecular FormulaC10H21O3P
Molecular Weight220.25 g/mol
Exact Mass220.12
IUPAC Name[ethoxy(ethyl)phosphoryl]oxycyclohexane
SMILESCCOP(=O)(CC)OC1CCCCC1
InChIInChI=1S/C10H21O3P/c1-3-12-14(11,4-2)13-10-8-6-5-7-9-10/h10H,3-9H2,1-2H3
InChIKeyNTPJYHFZMWAQSR-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 [ethoxy(ethyl)phosphoryl]oxycyclohexane?
The IUPAC name of [ethoxy(ethyl)phosphoryl]oxycyclohexane (CID 87127831) is [ethoxy(ethyl)phosphoryl]oxycyclohexane.
What is the SMILES notation for [ethoxy(ethyl)phosphoryl]oxycyclohexane?
The canonical SMILES for [ethoxy(ethyl)phosphoryl]oxycyclohexane is CCOP(=O)(CC)OC1CCCCC1.
What is the InChIKey of [ethoxy(ethyl)phosphoryl]oxycyclohexane?
The InChIKey is NTPJYHFZMWAQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O3P/c1-3-12-14(11,4-2)13-10-8-6-5-7-9-10/h10H,3-9H2,1-2H3.
What are the key properties of [ethoxy(ethyl)phosphoryl]oxycyclohexane?
[ethoxy(ethyl)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 [ethoxy(ethyl)phosphoryl]oxycyclohexane is sourced from PubChem (CID 87127831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).