2-ethoxy-5,5-dimethyl-4-propan-2-yl-1,3,2-dioxaphosphinane

C10H21O3P — CID 12730263

IUPAC2-ethoxy-5,5-dimethyl-4-propan-2-yl-1,3,2-dioxaphosphinane
SMILESCCOP1OCC(C)(C)C(C(C)C)O1
InChIInChI=1S/C10H21O3P/c1-6-11-14-12-7-10(4,5)9(13-14)8(2)3/h8-9H,6-7H2,1-5H3
InChIKeyRMQPNADNJXNSCO-UHFFFAOYSA-N
MW220.25 g/mol
LogP3.35
Rot. Bonds3

About 2-ethoxy-5,5-dimethyl-4-propan-2-yl-1,3,2-dioxaphosphinane

2-ethoxy-5,5-dimethyl-4-propan-2-yl-1,3,2-dioxaphosphinane (PubChem CID 12730263) has the molecular formula C10H21O3P and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-ethoxy-5,5-dimethyl-4-propan-2-yl-1,3,2-dioxaphosphinane.

Molecular Properties

Compound Name2-ethoxy-5,5-dimethyl-4-propan-2-yl-1,3,2-dioxaphosphinane
PubChem CID12730263
Molecular FormulaC10H21O3P
Molecular Weight220.25 g/mol
Exact Mass220.12
IUPAC Name2-ethoxy-5,5-dimethyl-4-propan-2-yl-1,3,2-dioxaphosphinane
SMILESCCOP1OCC(C)(C)C(C(C)C)O1
InChIInChI=1S/C10H21O3P/c1-6-11-14-12-7-10(4,5)9(13-14)8(2)3/h8-9H,6-7H2,1-5H3
InChIKeyRMQPNADNJXNSCO-UHFFFAOYSA-N
XLogP3.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-ethoxy-5,5-dimethyl-4-propan-2-yl-1,3,2-dioxaphosphinane with MolForge

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

Launch Full Analysis

Related Compounds

(2R,4R)-2-methoxy-5,5-dimethyl-4-propan-2-yl-1,3,2-dioxaphosphinane
CID 23414648
3-ethoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
CID 88915075
N,N'-bis(5,5-dimethyl-4-propan-2-yl-1,3,2-dioxaphosphinan-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
CID 21277959
2-ethoxy-1,3,2-dioxaphosphinane
CID 13143342
2-butoxy-5,5-dimethyl-1,3,2-dioxaphosphinane
CID 549749
5,5-dimethyl-4-propan-2-yl-1,3-dioxane-2-carbaldehyde
CID 14401442
(2R,4S)-5,5-dimethyl-4-propan-2-yl-2-[(Z)-prop-1-enyl]-1,3-dioxane
CID 98572257
2-chloro-5,5-dimethyl-4-propan-2-yl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane
CID 23413847
2-(2-methoxyethoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane
CID 591931
1-(5,5-dimethyl-4-propan-2-yl-1,3-dioxan-2-yl)ethanone
CID 56620797
2-(2,3-dimethylpentyl)-1,1-dimethylcyclopropane
CID 91014133
2-ethoxy-5,5-dimethyl-1,3-dioxane
CID 11137431

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5,5-dimethyl-4-propan-2-yl-1,3,2-dioxaphosphinane?
The IUPAC name of 2-ethoxy-5,5-dimethyl-4-propan-2-yl-1,3,2-dioxaphosphinane (CID 12730263) is 2-ethoxy-5,5-dimethyl-4-propan-2-yl-1,3,2-dioxaphosphinane.
What is the SMILES notation for 2-ethoxy-5,5-dimethyl-4-propan-2-yl-1,3,2-dioxaphosphinane?
The canonical SMILES for 2-ethoxy-5,5-dimethyl-4-propan-2-yl-1,3,2-dioxaphosphinane is CCOP1OCC(C)(C)C(C(C)C)O1.
What is the InChIKey of 2-ethoxy-5,5-dimethyl-4-propan-2-yl-1,3,2-dioxaphosphinane?
The InChIKey is RMQPNADNJXNSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O3P/c1-6-11-14-12-7-10(4,5)9(13-14)8(2)3/h8-9H,6-7H2,1-5H3.
What are the key properties of 2-ethoxy-5,5-dimethyl-4-propan-2-yl-1,3,2-dioxaphosphinane?
2-ethoxy-5,5-dimethyl-4-propan-2-yl-1,3,2-dioxaphosphinane has a molecular weight of 220.25 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5,5-dimethyl-4-propan-2-yl-1,3,2-dioxaphosphinane is sourced from PubChem (CID 12730263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).