2-benzyl-1,3,5-dioxaphosphinane-4-carbaldehyde

C11H13O3P — CID 174691629

IUPAC2-benzyl-1,3,5-dioxaphosphinane-4-carbaldehyde
SMILESO=CC1OC(Cc2ccccc2)OCP1
InChIInChI=1S/C11H13O3P/c12-7-11-14-10(13-8-15-11)6-9-4-2-1-3-5-9/h1-5,7,10-11,15H,6,8H2
InChIKeyBHKFVVOMVXKLLF-UHFFFAOYSA-N
MW224.20 g/mol
LogP1.76
Rot. Bonds3

About 2-benzyl-1,3,5-dioxaphosphinane-4-carbaldehyde

2-benzyl-1,3,5-dioxaphosphinane-4-carbaldehyde (PubChem CID 174691629) has the molecular formula C11H13O3P and a molecular weight of 224.20 g/mol. Its IUPAC name is 2-benzyl-1,3,5-dioxaphosphinane-4-carbaldehyde.

Molecular Properties

Compound Name2-benzyl-1,3,5-dioxaphosphinane-4-carbaldehyde
PubChem CID174691629
Molecular FormulaC11H13O3P
Molecular Weight224.20 g/mol
Exact Mass224.06
IUPAC Name2-benzyl-1,3,5-dioxaphosphinane-4-carbaldehyde
SMILESO=CC1OC(Cc2ccccc2)OCP1
InChIInChI=1S/C11H13O3P/c12-7-11-14-10(13-8-15-11)6-9-4-2-1-3-5-9/h1-5,7,10-11,15H,6,8H2
InChIKeyBHKFVVOMVXKLLF-UHFFFAOYSA-N
XLogP1.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.20
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,11-dibenzyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-9-carbaldehyde
CID 175617266
2-(2-benzyl-1,3-dioxolan-4-yl)ethanamine
CID 117169445
(4R)-4-benzyl-1,3-oxazolidine-2-carbaldehyde
CID 174480372
(1S,4S)-2,5-dibenzylbicyclo[2.2.1]heptane
CID 101446934
2-benzyl-5-(2-benzyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 175617259
cyclopentylmethylbenzene;formamide
CID 174870384
(4R,6R)-6-benzyl-2,2-dimethyl-1,3-dioxane-4-carbaldehyde
CID 42600180
5-benzyl-2,2-dimethyloxane-4-carbaldehyde
CID 13416051
5-benzyl-3-(4-bromophenyl)-1,3-oxazolidine-2-carbaldehyde
CID 174444121
2-benzyl-1-chloroimidazolidine-4-carbaldehyde
CID 151825050
2-[2-[(4-methylphenyl)methyl]-1,3-dioxolan-4-yl]acetic acid
CID 117169666
(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbaldehyde
CID 10774601

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,3,5-dioxaphosphinane-4-carbaldehyde?
The IUPAC name of 2-benzyl-1,3,5-dioxaphosphinane-4-carbaldehyde (CID 174691629) is 2-benzyl-1,3,5-dioxaphosphinane-4-carbaldehyde.
What is the SMILES notation for 2-benzyl-1,3,5-dioxaphosphinane-4-carbaldehyde?
The canonical SMILES for 2-benzyl-1,3,5-dioxaphosphinane-4-carbaldehyde is O=CC1OC(Cc2ccccc2)OCP1.
What is the InChIKey of 2-benzyl-1,3,5-dioxaphosphinane-4-carbaldehyde?
The InChIKey is BHKFVVOMVXKLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13O3P/c12-7-11-14-10(13-8-15-11)6-9-4-2-1-3-5-9/h1-5,7,10-11,15H,6,8H2.
What are the key properties of 2-benzyl-1,3,5-dioxaphosphinane-4-carbaldehyde?
2-benzyl-1,3,5-dioxaphosphinane-4-carbaldehyde has a molecular weight of 224.20 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,3,5-dioxaphosphinane-4-carbaldehyde is sourced from PubChem (CID 174691629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).