buta-1,3-dien-2-yloxyphosphane

C4H7OP — CID 126732441

IUPACbuta-1,3-dien-2-yloxyphosphane
SMILESC=CC(=C)OP
InChIInChI=1S/C4H7OP/c1-3-4(2)5-6/h3H,1-2,6H2
InChIKeyCBPZVEZTNYNZEC-UHFFFAOYSA-N
MW102.07 g/mol
LogP1.49
Rot. Bonds2

About buta-1,3-dien-2-yloxyphosphane

buta-1,3-dien-2-yloxyphosphane (PubChem CID 126732441) has the molecular formula C4H7OP and a molecular weight of 102.07 g/mol. Its IUPAC name is buta-1,3-dien-2-yloxyphosphane.

Molecular Properties

Compound Namebuta-1,3-dien-2-yloxyphosphane
PubChem CID126732441
Molecular FormulaC4H7OP
Molecular Weight102.07 g/mol
Exact Mass102.02
IUPAC Namebuta-1,3-dien-2-yloxyphosphane
SMILESC=CC(=C)OP
InChIInChI=1S/C4H7OP/c1-3-4(2)5-6/h3H,1-2,6H2
InChIKeyCBPZVEZTNYNZEC-UHFFFAOYSA-N
XLogP1.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.07
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

buta-1,3-dien-2-yl acetate
CID 13155985
buta-1,3-dien-2-yl hydrogen sulfite
CID 141209681
buta-1,3-dien-2-yl propanoate
CID 89118213
buta-1,3-dien-2-yloxy-ethylidene-methylsilane
CID 72623772
buta-1,3-dien-2-yloxycyclohexane
CID 142221806
methoxymethane;2-methylbuta-1,3-diene
CID 159763877
2-[2-[2-[2-[2-[2-[2-(2-buta-1,3-dien-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 166932546
2-buta-1,3-dien-2-yloxy-1,1,1-trifluoropropan-2-ol
CID 58205916
2-fluorobuta-1,3-diene
CID 551655
1-buta-1,3-dien-2-yloxydocosane
CID 166669930
tris(prop-2-enoic acid);silyloxysilane
CID 175696616
4-buta-1,3-dien-2-yloxybutyl acetate
CID 89122366

Frequently Asked Questions

What is the IUPAC name of buta-1,3-dien-2-yloxyphosphane?
The IUPAC name of buta-1,3-dien-2-yloxyphosphane (CID 126732441) is buta-1,3-dien-2-yloxyphosphane.
What is the SMILES notation for buta-1,3-dien-2-yloxyphosphane?
The canonical SMILES for buta-1,3-dien-2-yloxyphosphane is C=CC(=C)OP.
What is the InChIKey of buta-1,3-dien-2-yloxyphosphane?
The InChIKey is CBPZVEZTNYNZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7OP/c1-3-4(2)5-6/h3H,1-2,6H2.
What are the key properties of buta-1,3-dien-2-yloxyphosphane?
buta-1,3-dien-2-yloxyphosphane has a molecular weight of 102.07 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-dien-2-yloxyphosphane is sourced from PubChem (CID 126732441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).