3-[but-3-enoxy(2-methylprop-2-enyl)phosphoryl]-2-methylprop-1-ene

C12H21O2P — CID 135079290

IUPAC3-[but-3-enoxy(2-methylprop-2-enyl)phosphoryl]-2-methylprop-1-ene
SMILESC=CCCOP(=O)(CC(=C)C)CC(=C)C
InChIInChI=1S/C12H21O2P/c1-6-7-8-14-15(13,9-11(2)3)10-12(4)5/h6H,1-2,4,7-10H2,3,5H3
InChIKeyONFAAEMFOGTDDU-UHFFFAOYSA-N
MW228.27 g/mol
LogP4.01
Rot. Bonds8

About 3-[but-3-enoxy(2-methylprop-2-enyl)phosphoryl]-2-methylprop-1-ene

3-[but-3-enoxy(2-methylprop-2-enyl)phosphoryl]-2-methylprop-1-ene (PubChem CID 135079290) has the molecular formula C12H21O2P and a molecular weight of 228.27 g/mol. Its IUPAC name is 3-[but-3-enoxy(2-methylprop-2-enyl)phosphoryl]-2-methylprop-1-ene.

Molecular Properties

Compound Name3-[but-3-enoxy(2-methylprop-2-enyl)phosphoryl]-2-methylprop-1-ene
PubChem CID135079290
Molecular FormulaC12H21O2P
Molecular Weight228.27 g/mol
Exact Mass228.13
IUPAC Name3-[but-3-enoxy(2-methylprop-2-enyl)phosphoryl]-2-methylprop-1-ene
SMILESC=CCCOP(=O)(CC(=C)C)CC(=C)C
InChIInChI=1S/C12H21O2P/c1-6-7-8-14-15(13,9-11(2)3)10-12(4)5/h6H,1-2,4,7-10H2,3,5H3
InChIKeyONFAAEMFOGTDDU-UHFFFAOYSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Phosphinic acid, diallyl-, propyl ester
CID 120311
Diethyl 3-butenylphosphonate
CID 10997850
1-Butoxy-4-methyl-2,3-dihydro-1lambda5-phosphole 1-oxide
CID 312437
diethyl (E)-(3,3-dimethylbut-1-en-1-yl)phosphonate
CID 11790710
(4-Pentenyl)phosphonic acid diethyl ester
CID 13462469
4-bis[(E)-prop-1-enyl]phosphoryloxypent-1-ene
CID 11586551
4-Bis(prop-1-en-2-yl)phosphoryloxypent-1-ene
CID 11600958
4-Bis(ethenyl)phosphoryloxypent-1-ene
CID 11636947
4-bis[(Z)-prop-1-enyl]phosphoryloxypent-1-ene
CID 11651422
(E)-1-diethoxyphosphoryl-3-methylbut-1-ene
CID 11830581
(E)-3-methyl-1-[methyl(propan-2-yloxy)phosphoryl]but-1-ene
CID 12062970
(E)-1-diethoxyphosphorylbut-1-ene
CID 12530541

Frequently Asked Questions

What is the IUPAC name of 3-[but-3-enoxy(2-methylprop-2-enyl)phosphoryl]-2-methylprop-1-ene?
The IUPAC name of 3-[but-3-enoxy(2-methylprop-2-enyl)phosphoryl]-2-methylprop-1-ene (CID 135079290) is 3-[but-3-enoxy(2-methylprop-2-enyl)phosphoryl]-2-methylprop-1-ene.
What is the SMILES notation for 3-[but-3-enoxy(2-methylprop-2-enyl)phosphoryl]-2-methylprop-1-ene?
The canonical SMILES for 3-[but-3-enoxy(2-methylprop-2-enyl)phosphoryl]-2-methylprop-1-ene is C=CCCOP(=O)(CC(=C)C)CC(=C)C.
What is the InChIKey of 3-[but-3-enoxy(2-methylprop-2-enyl)phosphoryl]-2-methylprop-1-ene?
The InChIKey is ONFAAEMFOGTDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21O2P/c1-6-7-8-14-15(13,9-11(2)3)10-12(4)5/h6H,1-2,4,7-10H2,3,5H3.
What are the key properties of 3-[but-3-enoxy(2-methylprop-2-enyl)phosphoryl]-2-methylprop-1-ene?
3-[but-3-enoxy(2-methylprop-2-enyl)phosphoryl]-2-methylprop-1-ene has a molecular weight of 228.27 g/mol, XLogP of 4.01, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[but-3-enoxy(2-methylprop-2-enyl)phosphoryl]-2-methylprop-1-ene is sourced from PubChem (CID 135079290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).