2-methylprop-2-enyl oxiran-2-ylmethyl phenyl phosphite

C13H17O4P — CID 87262004

IUPAC2-methylprop-2-enyl oxiran-2-ylmethyl phenyl phosphite
SMILESC=C(C)COP(OCC1CO1)Oc1ccccc1
InChIInChI=1S/C13H17O4P/c1-11(2)8-15-18(16-10-13-9-14-13)17-12-6-4-3-5-7-12/h3-7,13H,1,8-10H2,2H3
InChIKeyBJNYHCKSRYYWRO-UHFFFAOYSA-N
MW268.25 g/mol
LogP3.30
Rot. Bonds8

About 2-methylprop-2-enyl oxiran-2-ylmethyl phenyl phosphite

2-methylprop-2-enyl oxiran-2-ylmethyl phenyl phosphite (PubChem CID 87262004) has the molecular formula C13H17O4P and a molecular weight of 268.25 g/mol. Its IUPAC name is 2-methylprop-2-enyl oxiran-2-ylmethyl phenyl phosphite.

Molecular Properties

Compound Name2-methylprop-2-enyl oxiran-2-ylmethyl phenyl phosphite
PubChem CID87262004
Molecular FormulaC13H17O4P
Molecular Weight268.25 g/mol
Exact Mass268.09
IUPAC Name2-methylprop-2-enyl oxiran-2-ylmethyl phenyl phosphite
SMILESC=C(C)COP(OCC1CO1)Oc1ccccc1
InChIInChI=1S/C13H17O4P/c1-11(2)8-15-18(16-10-13-9-14-13)17-12-6-4-3-5-7-12/h3-7,13H,1,8-10H2,2H3
InChIKeyBJNYHCKSRYYWRO-UHFFFAOYSA-N
XLogP3.30
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[oxiran-2-ylmethoxy(phenoxy)phosphanyl] 2-methylprop-2-enoate
CID 87262005
2-[[2-(2-methylprop-2-enoxy)phenoxy]methyl]oxirane
CID 13171806
ethene;2-(phenoxymethyl)oxirane
CID 135283522
ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496
ethane;(2S)-2-(phenoxymethyl)oxirane
CID 164913694
carbanide;ethane;methane;tris(2-(phenoxymethyl)oxirane);bis(yttrium)
CID 162167972
oxiran-2-ylmethyl phenyl hydrogen phosphate
CID 87668878
but-1-ene;2-(phenoxymethyl)oxirane
CID 142029605
1,1'-biphenyl;2-(phenoxymethyl)oxirane;propane
CID 90797707
bis(1,4-diethylbenzene);tris(2-(phenoxymethyl)oxirane)
CID 158955106
oxiran-2-ylmethyl 2-methylprop-2-enoate;phenylmethanamine
CID 175327746
tri(113C)cyclohexatrienyl phosphite
CID 101432390

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enyl oxiran-2-ylmethyl phenyl phosphite?
The IUPAC name of 2-methylprop-2-enyl oxiran-2-ylmethyl phenyl phosphite (CID 87262004) is 2-methylprop-2-enyl oxiran-2-ylmethyl phenyl phosphite.
What is the SMILES notation for 2-methylprop-2-enyl oxiran-2-ylmethyl phenyl phosphite?
The canonical SMILES for 2-methylprop-2-enyl oxiran-2-ylmethyl phenyl phosphite is C=C(C)COP(OCC1CO1)Oc1ccccc1.
What is the InChIKey of 2-methylprop-2-enyl oxiran-2-ylmethyl phenyl phosphite?
The InChIKey is BJNYHCKSRYYWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17O4P/c1-11(2)8-15-18(16-10-13-9-14-13)17-12-6-4-3-5-7-12/h3-7,13H,1,8-10H2,2H3.
What are the key properties of 2-methylprop-2-enyl oxiran-2-ylmethyl phenyl phosphite?
2-methylprop-2-enyl oxiran-2-ylmethyl phenyl phosphite has a molecular weight of 268.25 g/mol, XLogP of 3.30, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enyl oxiran-2-ylmethyl phenyl phosphite is sourced from PubChem (CID 87262004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).