[(1E)-2-methylbuta-1,3-dienyl]phosphane

C5H9P — CID 118945946

IUPAC[(1E)-2-methylbuta-1,3-dienyl]phosphane
SMILESC=C/C(C)=C/P
InChIInChI=1S/C5H9P/c1-3-5(2)4-6/h3-4H,1,6H2,2H3/b5-4+
InChIKeyVMSOLAZCXHOALO-SNAWJCMRSA-N
MW100.10 g/mol
LogP1.95
Rot. Bonds1

About [(1E)-2-methylbuta-1,3-dienyl]phosphane

[(1E)-2-methylbuta-1,3-dienyl]phosphane (PubChem CID 118945946) has the molecular formula C5H9P and a molecular weight of 100.10 g/mol. Its IUPAC name is [(1E)-2-methylbuta-1,3-dienyl]phosphane.

Molecular Properties

Compound Name[(1E)-2-methylbuta-1,3-dienyl]phosphane
PubChem CID118945946
Molecular FormulaC5H9P
Molecular Weight100.10 g/mol
Exact Mass100.04
IUPAC Name[(1E)-2-methylbuta-1,3-dienyl]phosphane
SMILESC=C/C(C)=C/P
InChIInChI=1S/C5H9P/c1-3-5(2)4-6/h3-4H,1,6H2,2H3/b5-4+
InChIKeyVMSOLAZCXHOALO-SNAWJCMRSA-N
XLogP1.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.10
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-methylhexa-1,3,5-triene
CID 5367380
2-methylbuta-1,3-dienyl-λ2-plumbane
CID 173091187
ethane;(1Z)-2-methylbuta-1,3-diene-1-thiol
CID 142804788
ethane;(1Z)-2-methylbuta-1,3-diene-1-thiol
CID 143502225
(Z)-but-2-ene;(3E,5Z)-3,6-dimethylocta-1,3,5,7-tetraene
CID 163402506
1-methoxy-2-methylbuta-1,3-diene
CID 54143259
ethane;(3Z)-3-methylpenta-1,3-diene;propane
CID 143719744
3-methylpenta-2,4-dien-1-ol
CID 534959
ethane;ethene;(3Z)-3-methylhexa-1,3,5-triene
CID 145383595
2-bromo-4-methylhexa-1,3,5-triene
CID 91031136
3-methylhepta-1,3,6-triene
CID 71444747
(3E)-5-hydroperoxy-3,7-dimethylocta-1,3,6-triene
CID 167216240

Frequently Asked Questions

What is the IUPAC name of [(1E)-2-methylbuta-1,3-dienyl]phosphane?
The IUPAC name of [(1E)-2-methylbuta-1,3-dienyl]phosphane (CID 118945946) is [(1E)-2-methylbuta-1,3-dienyl]phosphane.
What is the SMILES notation for [(1E)-2-methylbuta-1,3-dienyl]phosphane?
The canonical SMILES for [(1E)-2-methylbuta-1,3-dienyl]phosphane is C=C/C(C)=C/P.
What is the InChIKey of [(1E)-2-methylbuta-1,3-dienyl]phosphane?
The InChIKey is VMSOLAZCXHOALO-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H9P/c1-3-5(2)4-6/h3-4H,1,6H2,2H3/b5-4+.
What are the key properties of [(1E)-2-methylbuta-1,3-dienyl]phosphane?
[(1E)-2-methylbuta-1,3-dienyl]phosphane has a molecular weight of 100.10 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-2-methylbuta-1,3-dienyl]phosphane is sourced from PubChem (CID 118945946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).