4,4,6,6-tetramethyl-2-(3-phenylpropoxy)-1,3,2lambda5-dioxaphosphinane 2-oxide

C16H25O4P — CID 15019172

IUPAC4,4,6,6-tetramethyl-2-(3-phenylpropoxy)-1,3,2lambda5-dioxaphosphinane 2-oxide
SMILESCC1(C)CC(C)(C)OP(=O)(OCCCc2ccccc2)O1
InChIInChI=1S/C16H25O4P/c1-15(2)13-16(3,4)20-21(17,19-15)18-12-8-11-14-9-6-5-7-10-14/h5-7,9-10H,8,11-13H2,1-4H3
InChIKeySMYJTRIHHCESNA-UHFFFAOYSA-N
MW312.35 g/mol
LogP4.74
Rot. Bonds5

About 4,4,6,6-tetramethyl-2-(3-phenylpropoxy)-1,3,2lambda5-dioxaphosphinane 2-oxide

4,4,6,6-tetramethyl-2-(3-phenylpropoxy)-1,3,2lambda5-dioxaphosphinane 2-oxide (PubChem CID 15019172) has the molecular formula C16H25O4P and a molecular weight of 312.35 g/mol. Its IUPAC name is 4,4,6,6-tetramethyl-2-(3-phenylpropoxy)-1,3,2lambda5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name4,4,6,6-tetramethyl-2-(3-phenylpropoxy)-1,3,2lambda5-dioxaphosphinane 2-oxide
PubChem CID15019172
Molecular FormulaC16H25O4P
Molecular Weight312.35 g/mol
Exact Mass312.15
IUPAC Name4,4,6,6-tetramethyl-2-(3-phenylpropoxy)-1,3,2lambda5-dioxaphosphinane 2-oxide
SMILESCC1(C)CC(C)(C)OP(=O)(OCCCc2ccccc2)O1
InChIInChI=1S/C16H25O4P/c1-15(2)13-16(3,4)20-21(17,19-15)18-12-8-11-14-9-6-5-7-10-14/h5-7,9-10H,8,11-13H2,1-4H3
InChIKeySMYJTRIHHCESNA-UHFFFAOYSA-N
XLogP4.74
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,4,6,6-tetramethyl-2-(3-phenylpropoxy)-1,3,2lambda5-dioxaphosphinane 2-oxide 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

benzylethoxysilane
CID 66773279
5-methyl-5-(3-phenylpropyl)-1,3-dioxane-4,6-dione
CID 118947181
3-phenylpropyl 4-amino-3-methyloxolane-3-carboxylate
CID 66249748
2,2-dimethyl-5-phenyl-5-(3-phenylpropyl)oxolane
CID 166443548
1,1-dimethyl-3-phenyl-3-(3-phenylpropyl)-2-benzofuran
CID 177421656
4-phenylbutylbenzene
CID 141301927
oxo(3-phenylpropoxy)stannane
CID 173066095
(3-methyloxetan-3-yl)methyl 4-phenylbutanoate
CID 13123200
(3aR,5S,6aR)-5,6a-dimethyl-5-(10-phenyldecyl)-3a,6-dihydro-3H-furo[3,2-b]furan-2-one
CID 10248725
5,5-dimethyl-2-(3-phenylpropyl)cyclohexane-1,3-dione
CID 134953358
3-[1-(iodomethyl)cyclopentyl]oxypropylbenzene
CID 114773849
(4S)-4-methyl-4-(2-phenylethyl)oxolan-2-one
CID 131860744

Frequently Asked Questions

What is the IUPAC name of 4,4,6,6-tetramethyl-2-(3-phenylpropoxy)-1,3,2lambda5-dioxaphosphinane 2-oxide?
The IUPAC name of 4,4,6,6-tetramethyl-2-(3-phenylpropoxy)-1,3,2lambda5-dioxaphosphinane 2-oxide (CID 15019172) is 4,4,6,6-tetramethyl-2-(3-phenylpropoxy)-1,3,2lambda5-dioxaphosphinane 2-oxide.
What is the SMILES notation for 4,4,6,6-tetramethyl-2-(3-phenylpropoxy)-1,3,2lambda5-dioxaphosphinane 2-oxide?
The canonical SMILES for 4,4,6,6-tetramethyl-2-(3-phenylpropoxy)-1,3,2lambda5-dioxaphosphinane 2-oxide is CC1(C)CC(C)(C)OP(=O)(OCCCc2ccccc2)O1.
What is the InChIKey of 4,4,6,6-tetramethyl-2-(3-phenylpropoxy)-1,3,2lambda5-dioxaphosphinane 2-oxide?
The InChIKey is SMYJTRIHHCESNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25O4P/c1-15(2)13-16(3,4)20-21(17,19-15)18-12-8-11-14-9-6-5-7-10-14/h5-7,9-10H,8,11-13H2,1-4H3.
What are the key properties of 4,4,6,6-tetramethyl-2-(3-phenylpropoxy)-1,3,2lambda5-dioxaphosphinane 2-oxide?
4,4,6,6-tetramethyl-2-(3-phenylpropoxy)-1,3,2lambda5-dioxaphosphinane 2-oxide has a molecular weight of 312.35 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6,6-tetramethyl-2-(3-phenylpropoxy)-1,3,2lambda5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 15019172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).