3-methylbut-3-enoxy(phosphanyl)phosphane

C5H12OP2 — CID 23527406

IUPAC3-methylbut-3-enoxy(phosphanyl)phosphane
SMILESC=C(C)CCOPP
InChIInChI=1S/C5H12OP2/c1-5(2)3-4-6-8-7/h8H,1,3-4,7H2,2H3
InChIKeyZJFXJZGPRWITSW-UHFFFAOYSA-N
MW150.10 g/mol
LogP2.35
Rot. Bonds4

About 3-methylbut-3-enoxy(phosphanyl)phosphane

3-methylbut-3-enoxy(phosphanyl)phosphane (PubChem CID 23527406) has the molecular formula C5H12OP2 and a molecular weight of 150.10 g/mol. Its IUPAC name is 3-methylbut-3-enoxy(phosphanyl)phosphane.

Molecular Properties

Compound Name3-methylbut-3-enoxy(phosphanyl)phosphane
PubChem CID23527406
Molecular FormulaC5H12OP2
Molecular Weight150.10 g/mol
Exact Mass150.04
IUPAC Name3-methylbut-3-enoxy(phosphanyl)phosphane
SMILESC=C(C)CCOPP
InChIInChI=1S/C5H12OP2/c1-5(2)3-4-6-8-7/h8H,1,3-4,7H2,2H3
InChIKeyZJFXJZGPRWITSW-UHFFFAOYSA-N
XLogP2.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.10
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of 3-methylbut-3-enoxy(phosphanyl)phosphane?
The IUPAC name of 3-methylbut-3-enoxy(phosphanyl)phosphane (CID 23527406) is 3-methylbut-3-enoxy(phosphanyl)phosphane.
What is the SMILES notation for 3-methylbut-3-enoxy(phosphanyl)phosphane?
The canonical SMILES for 3-methylbut-3-enoxy(phosphanyl)phosphane is C=C(C)CCOPP.
What is the InChIKey of 3-methylbut-3-enoxy(phosphanyl)phosphane?
The InChIKey is ZJFXJZGPRWITSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12OP2/c1-5(2)3-4-6-8-7/h8H,1,3-4,7H2,2H3.
What are the key properties of 3-methylbut-3-enoxy(phosphanyl)phosphane?
3-methylbut-3-enoxy(phosphanyl)phosphane has a molecular weight of 150.10 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbut-3-enoxy(phosphanyl)phosphane is sourced from PubChem (CID 23527406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).