1-[ethoxy(methyl)phosphoryl]oxy-4-methylcyclohexane

C10H21O3P — CID 566405

IUPAC1-[ethoxy(methyl)phosphoryl]oxy-4-methylcyclohexane
SMILESCCOP(C)(=O)OC1CCC(C)CC1
InChIInChI=1S/C10H21O3P/c1-4-12-14(3,11)13-10-7-5-9(2)6-8-10/h9-10H,4-8H2,1-3H3
InChIKeyBWXLMHQUGQQJHB-UHFFFAOYSA-N
MW220.25 g/mol
LogP3.44
Rot. Bonds4

About 1-[ethoxy(methyl)phosphoryl]oxy-4-methylcyclohexane

1-[ethoxy(methyl)phosphoryl]oxy-4-methylcyclohexane (PubChem CID 566405) has the molecular formula C10H21O3P and a molecular weight of 220.25 g/mol. Its IUPAC name is 1-[ethoxy(methyl)phosphoryl]oxy-4-methylcyclohexane.

Molecular Properties

Compound Name1-[ethoxy(methyl)phosphoryl]oxy-4-methylcyclohexane
PubChem CID566405
Molecular FormulaC10H21O3P
Molecular Weight220.25 g/mol
Exact Mass220.12
IUPAC Name1-[ethoxy(methyl)phosphoryl]oxy-4-methylcyclohexane
SMILESCCOP(C)(=O)OC1CCC(C)CC1
InChIInChI=1S/C10H21O3P/c1-4-12-14(3,11)13-10-7-5-9(2)6-8-10/h9-10H,4-8H2,1-3H3
InChIKeyBWXLMHQUGQQJHB-UHFFFAOYSA-N
XLogP3.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[ethoxy(methyl)phosphoryl]oxy-4-methylcyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[ethoxy(methyl)phosphoryl]oxy-4-methylcyclohexane?
The IUPAC name of 1-[ethoxy(methyl)phosphoryl]oxy-4-methylcyclohexane (CID 566405) is 1-[ethoxy(methyl)phosphoryl]oxy-4-methylcyclohexane.
What is the SMILES notation for 1-[ethoxy(methyl)phosphoryl]oxy-4-methylcyclohexane?
The canonical SMILES for 1-[ethoxy(methyl)phosphoryl]oxy-4-methylcyclohexane is CCOP(C)(=O)OC1CCC(C)CC1.
What is the InChIKey of 1-[ethoxy(methyl)phosphoryl]oxy-4-methylcyclohexane?
The InChIKey is BWXLMHQUGQQJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O3P/c1-4-12-14(3,11)13-10-7-5-9(2)6-8-10/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-[ethoxy(methyl)phosphoryl]oxy-4-methylcyclohexane?
1-[ethoxy(methyl)phosphoryl]oxy-4-methylcyclohexane has a molecular weight of 220.25 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(methyl)phosphoryl]oxy-4-methylcyclohexane is sourced from PubChem (CID 566405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).