1-dimethylphosphoryl-2-methylbut-2-ene;1-dimethylphosphoryl-3-methylbut-2-ene

C14H30O2P2 — CID 158968925

IUPAC1-dimethylphosphoryl-2-methylbut-2-ene;1-dimethylphosphoryl-3-methylbut-2-ene
SMILESCC(C)=CCP(C)(C)=O.CC=C(C)CP(C)(C)=O
InChIInChI=1S/2C7H15OP/c1-7(2)5-6-9(3,4)8;1-5-7(2)6-9(3,4)8/h2*5H,6H2,1-4H3
InChIKeyJNOCFKZXEYFZIY-UHFFFAOYSA-N
MW292.34 g/mol
LogP5.15
Rot. Bonds4

About 1-dimethylphosphoryl-2-methylbut-2-ene;1-dimethylphosphoryl-3-methylbut-2-ene

1-dimethylphosphoryl-2-methylbut-2-ene;1-dimethylphosphoryl-3-methylbut-2-ene (PubChem CID 158968925) has the molecular formula C14H30O2P2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-dimethylphosphoryl-2-methylbut-2-ene;1-dimethylphosphoryl-3-methylbut-2-ene.

Molecular Properties

Compound Name1-dimethylphosphoryl-2-methylbut-2-ene;1-dimethylphosphoryl-3-methylbut-2-ene
PubChem CID158968925
Molecular FormulaC14H30O2P2
Molecular Weight292.34 g/mol
Exact Mass292.17
IUPAC Name1-dimethylphosphoryl-2-methylbut-2-ene;1-dimethylphosphoryl-3-methylbut-2-ene
SMILESCC(C)=CCP(C)(C)=O.CC=C(C)CP(C)(C)=O
InChIInChI=1S/2C7H15OP/c1-7(2)5-6-9(3,4)8;1-5-7(2)6-9(3,4)8/h2*5H,6H2,1-4H3
InChIKeyJNOCFKZXEYFZIY-UHFFFAOYSA-N
XLogP5.15
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.34
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6E)-2,6-dimethylocta-2,6-diene
CID 5365898
ethane;(6E,10Z)-2,6,10-trimethyldodeca-2,6,10-triene
CID 143275958
(5E)-2,5-dimethylhepta-2,5-diene
CID 12688397
dichlorozinc;(6E)-2,6-dimethylocta-2,6-diene
CID 174338717
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;phosphoric acid
CID 174586289
3,7-dimethylocta-1,6-diene;(6E)-2,6-dimethylocta-2,6-diene
CID 165013974
2,10-dimethyldodeca-2,6,10-triene
CID 123930349
(2E,6E)-2,6-dimethylocta-2,6-dienal
CID 19035325
(E)-4-chloro-1-dichlorophosphoryl-2-methylbut-2-ene
CID 12540868
methyl-[methyl-[(2E,6Z,10Z)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl]oxyphosphinic acid
CID 95401005
7-bromo-2,6,10-trimethyldodeca-2,6,10-triene
CID 123277818
(4E,8E,12E,16E)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695

Frequently Asked Questions

What is the IUPAC name of 1-dimethylphosphoryl-2-methylbut-2-ene;1-dimethylphosphoryl-3-methylbut-2-ene?
The IUPAC name of 1-dimethylphosphoryl-2-methylbut-2-ene;1-dimethylphosphoryl-3-methylbut-2-ene (CID 158968925) is 1-dimethylphosphoryl-2-methylbut-2-ene;1-dimethylphosphoryl-3-methylbut-2-ene.
What is the SMILES notation for 1-dimethylphosphoryl-2-methylbut-2-ene;1-dimethylphosphoryl-3-methylbut-2-ene?
The canonical SMILES for 1-dimethylphosphoryl-2-methylbut-2-ene;1-dimethylphosphoryl-3-methylbut-2-ene is CC(C)=CCP(C)(C)=O.CC=C(C)CP(C)(C)=O.
What is the InChIKey of 1-dimethylphosphoryl-2-methylbut-2-ene;1-dimethylphosphoryl-3-methylbut-2-ene?
The InChIKey is JNOCFKZXEYFZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H15OP/c1-7(2)5-6-9(3,4)8;1-5-7(2)6-9(3,4)8/h2*5H,6H2,1-4H3.
What are the key properties of 1-dimethylphosphoryl-2-methylbut-2-ene;1-dimethylphosphoryl-3-methylbut-2-ene?
1-dimethylphosphoryl-2-methylbut-2-ene;1-dimethylphosphoryl-3-methylbut-2-ene has a molecular weight of 292.34 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethylphosphoryl-2-methylbut-2-ene;1-dimethylphosphoryl-3-methylbut-2-ene is sourced from PubChem (CID 158968925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).