3-dipropoxyphosphoryl-2-methylprop-1-ene

C10H21O3P — CID 21442638

IUPAC3-dipropoxyphosphoryl-2-methylprop-1-ene
SMILESC=C(C)CP(=O)(OCCC)OCCC
InChIInChI=1S/C10H21O3P/c1-5-7-12-14(11,9-10(3)4)13-8-6-2/h3,5-9H2,1-2,4H3
InChIKeyABCVIWVFDCQNSP-UHFFFAOYSA-N
MW220.25 g/mol
LogP3.61
Rot. Bonds8

About 3-dipropoxyphosphoryl-2-methylprop-1-ene

3-dipropoxyphosphoryl-2-methylprop-1-ene (PubChem CID 21442638) has the molecular formula C10H21O3P and a molecular weight of 220.25 g/mol. Its IUPAC name is 3-dipropoxyphosphoryl-2-methylprop-1-ene.

Molecular Properties

Compound Name3-dipropoxyphosphoryl-2-methylprop-1-ene
PubChem CID21442638
Molecular FormulaC10H21O3P
Molecular Weight220.25 g/mol
Exact Mass220.12
IUPAC Name3-dipropoxyphosphoryl-2-methylprop-1-ene
SMILESC=C(C)CP(=O)(OCCC)OCCC
InChIInChI=1S/C10H21O3P/c1-5-7-12-14(11,9-10(3)4)13-8-6-2/h3,5-9H2,1-2,4H3
InChIKeyABCVIWVFDCQNSP-UHFFFAOYSA-N
XLogP3.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Phosphoric acid, tris(2-methylallyl)-
CID 95951
Phosphinic acid, diallyl-, propyl ester
CID 120311
Diethyl 2-butenylphosphonate, predominantly trans
CID 10943314
Diethyl (2-methylallyl)phosphonate
CID 11008747
Diethyl 3-methyl-1,2-butadienylphosphonate
CID 380886
Phosphonic acid, allyl-, dibutyl ester
CID 199692
Phosphonic acid, propyl-, diallyl ester
CID 3056462
1-Butoxy-3-methyl-2,5-dihydro-1H-1lambda~5~-phosphol-1-one
CID 199243
3-Methyl-1-propoxy-2,5-dihydro-1H-1lambda~5~-phosphol-1-one
CID 200903
1-Butoxy-4-methyl-2,3-dihydro-1lambda5-phosphole 1-oxide
CID 312437
Diethyl (3-methylbut-2-en-1-yl)phosphonate
CID 11106521
1-[Butoxy(2-methylprop-1-enyl)phosphoryl]oxybutane
CID 11172694

Frequently Asked Questions

What is the IUPAC name of 3-dipropoxyphosphoryl-2-methylprop-1-ene?
The IUPAC name of 3-dipropoxyphosphoryl-2-methylprop-1-ene (CID 21442638) is 3-dipropoxyphosphoryl-2-methylprop-1-ene.
What is the SMILES notation for 3-dipropoxyphosphoryl-2-methylprop-1-ene?
The canonical SMILES for 3-dipropoxyphosphoryl-2-methylprop-1-ene is C=C(C)CP(=O)(OCCC)OCCC.
What is the InChIKey of 3-dipropoxyphosphoryl-2-methylprop-1-ene?
The InChIKey is ABCVIWVFDCQNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O3P/c1-5-7-12-14(11,9-10(3)4)13-8-6-2/h3,5-9H2,1-2,4H3.
What are the key properties of 3-dipropoxyphosphoryl-2-methylprop-1-ene?
3-dipropoxyphosphoryl-2-methylprop-1-ene has a molecular weight of 220.25 g/mol, XLogP of 3.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dipropoxyphosphoryl-2-methylprop-1-ene is sourced from PubChem (CID 21442638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).