1,1-diethoxy-2,2,3-trimethyl-1-phenyl-1λ5-phosphetane

C16H27O2P — CID 23413639

IUPAC1,1-diethoxy-2,2,3-trimethyl-1-phenyl-1λ5-phosphetane
SMILESCCOP1(OCC)(c2ccccc2)CC(C)C1(C)C
InChIInChI=1S/C16H27O2P/c1-6-17-19(18-7-2,13-14(3)16(19,4)5)15-11-9-8-10-12-15/h8-12,14H,6-7,13H2,1-5H3
InChIKeySUHFJHKTVHIKAU-UHFFFAOYSA-N
MW282.36 g/mol
LogP4.20
Rot. Bonds5

About 1,1-diethoxy-2,2,3-trimethyl-1-phenyl-1λ5-phosphetane

1,1-diethoxy-2,2,3-trimethyl-1-phenyl-1λ5-phosphetane (PubChem CID 23413639) has the molecular formula C16H27O2P and a molecular weight of 282.36 g/mol. Its IUPAC name is 1,1-diethoxy-2,2,3-trimethyl-1-phenyl-1λ5-phosphetane.

Molecular Properties

Compound Name1,1-diethoxy-2,2,3-trimethyl-1-phenyl-1λ5-phosphetane
PubChem CID23413639
Molecular FormulaC16H27O2P
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name1,1-diethoxy-2,2,3-trimethyl-1-phenyl-1λ5-phosphetane
SMILESCCOP1(OCC)(c2ccccc2)CC(C)C1(C)C
InChIInChI=1S/C16H27O2P/c1-6-17-19(18-7-2,13-14(3)16(19,4)5)15-11-9-8-10-12-15/h8-12,14H,6-7,13H2,1-5H3
InChIKeySUHFJHKTVHIKAU-UHFFFAOYSA-N
XLogP4.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1-diethoxy-2,2,3-trimethyl-1-phenyl-1λ5-phosphetane 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

2,2-diethoxy-2-phenyl-1,3,2λ5-dioxaphospholane
CID 23418788
cis-ethyl (1R,2R)-1-[dimethyl(phenyl)silyl]-2-methylcyclopropane-1-carboxylate
CID 101464653
2-(2-ethoxy-3-methylaziridin-2-yl)pyridine
CID 154379007
ethoxy-diethyl-phenoxysilane
CID 15146062
2,2,2-triethoxy-4-methyl-5-phenyl-1,3,2λ5-dioxaphosphole
CID 23413150
6-ethyl-3-methyl-3-phenylpiperazine-2,5-dione
CID 64883494
3,7-dimethyl-3-phenyl-1,4-diazepane-2,5-dione
CID 64884255
2,3-dihydro-1H-inden-2-yloxy(triethyl)silane
CID 139809748
ethyl 2-methyl-2-phenyl-3-trimethylsilyloxycyclopropane-1-carboxylate
CID 12859642
2-(2-ethoxycarbonyloxyphenyl)acetic acid
CID 122517223
diethyl (3R)-3,6-diphenyl-3,6-dihydropyridazine-1,2-dicarboxylate
CID 2755637
2,6-diethyl-2,3,6-trimethyl-4,4-bis(phenylmethoxy)piperidine
CID 143193631

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxy-2,2,3-trimethyl-1-phenyl-1λ5-phosphetane?
The IUPAC name of 1,1-diethoxy-2,2,3-trimethyl-1-phenyl-1λ5-phosphetane (CID 23413639) is 1,1-diethoxy-2,2,3-trimethyl-1-phenyl-1λ5-phosphetane.
What is the SMILES notation for 1,1-diethoxy-2,2,3-trimethyl-1-phenyl-1λ5-phosphetane?
The canonical SMILES for 1,1-diethoxy-2,2,3-trimethyl-1-phenyl-1λ5-phosphetane is CCOP1(OCC)(c2ccccc2)CC(C)C1(C)C.
What is the InChIKey of 1,1-diethoxy-2,2,3-trimethyl-1-phenyl-1λ5-phosphetane?
The InChIKey is SUHFJHKTVHIKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27O2P/c1-6-17-19(18-7-2,13-14(3)16(19,4)5)15-11-9-8-10-12-15/h8-12,14H,6-7,13H2,1-5H3.
What are the key properties of 1,1-diethoxy-2,2,3-trimethyl-1-phenyl-1λ5-phosphetane?
1,1-diethoxy-2,2,3-trimethyl-1-phenyl-1λ5-phosphetane has a molecular weight of 282.36 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxy-2,2,3-trimethyl-1-phenyl-1λ5-phosphetane is sourced from PubChem (CID 23413639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).