tris(2-prop-1-enoxyethyl) phosphate

C15H27O7P — CID 150385672

IUPACtris(2-prop-1-enoxyethyl) phosphate
SMILESCC=COCCOP(=O)(OCCOC=CC)OCCOC=CC
InChIInChI=1S/C15H27O7P/c1-4-7-17-10-13-20-23(16,21-14-11-18-8-5-2)22-15-12-19-9-6-3/h4-9H,10-15H2,1-3H3
InChIKeyHAQOCPWEHHNROW-UHFFFAOYSA-N
MW350.35 g/mol
LogP3.79
Rot. Bonds15

About tris(2-prop-1-enoxyethyl) phosphate

tris(2-prop-1-enoxyethyl) phosphate (PubChem CID 150385672) has the molecular formula C15H27O7P and a molecular weight of 350.35 g/mol. Its IUPAC name is tris(2-prop-1-enoxyethyl) phosphate.

Molecular Properties

Compound Nametris(2-prop-1-enoxyethyl) phosphate
PubChem CID150385672
Molecular FormulaC15H27O7P
Molecular Weight350.35 g/mol
Exact Mass350.15
IUPAC Nametris(2-prop-1-enoxyethyl) phosphate
SMILESCC=COCCOP(=O)(OCCOC=CC)OCCOC=CC
InChIInChI=1S/C15H27O7P/c1-4-7-17-10-13-20-23(16,21-14-11-18-8-5-2)22-15-12-19-9-6-3/h4-9H,10-15H2,1-3H3
InChIKeyHAQOCPWEHHNROW-UHFFFAOYSA-N
XLogP3.79
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

acetic acid;1-(2-methoxyethoxy)prop-1-ene
CID 118619515
1-[(Z)-prop-1-enoxy]-4-[(E)-prop-1-enoxy]butane
CID 131862355
1,10-bis(prop-1-enoxy)decane
CID 54271291
dibutyl [(E)-prop-1-enyl] phosphate
CID 5372398
phosphoric acid;1-prop-1-enoxydodecane
CID 175408861
3-prop-1-enoxypropanoic acid
CID 140976300
4-prop-1-enoxybutan-2-one
CID 71435661
diethyl 2-methoxyethyl phosphate
CID 547489
2-ethoxyethyl diethyl phosphate
CID 3052884
1-prop-1-enoxydecane
CID 54116737
tris[3-(2-methylprop-1-enoxy)propyl] phosphate
CID 151388000
prop-1-enyl propyl hydrogen phosphate
CID 87732909

Frequently Asked Questions

What is the IUPAC name of tris(2-prop-1-enoxyethyl) phosphate?
The IUPAC name of tris(2-prop-1-enoxyethyl) phosphate (CID 150385672) is tris(2-prop-1-enoxyethyl) phosphate.
What is the SMILES notation for tris(2-prop-1-enoxyethyl) phosphate?
The canonical SMILES for tris(2-prop-1-enoxyethyl) phosphate is CC=COCCOP(=O)(OCCOC=CC)OCCOC=CC.
What is the InChIKey of tris(2-prop-1-enoxyethyl) phosphate?
The InChIKey is HAQOCPWEHHNROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27O7P/c1-4-7-17-10-13-20-23(16,21-14-11-18-8-5-2)22-15-12-19-9-6-3/h4-9H,10-15H2,1-3H3.
What are the key properties of tris(2-prop-1-enoxyethyl) phosphate?
tris(2-prop-1-enoxyethyl) phosphate has a molecular weight of 350.35 g/mol, XLogP of 3.79, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-prop-1-enoxyethyl) phosphate is sourced from PubChem (CID 150385672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).