butan-2-yloxy(pent-4-enyl)phosphinic acid

C9H19O3P — CID 87459659

IUPACbutan-2-yloxy(pent-4-enyl)phosphinic acid
SMILESC=CCCCP(=O)(O)OC(C)CC
InChIInChI=1S/C9H19O3P/c1-4-6-7-8-13(10,11)12-9(3)5-2/h4,9H,1,5-8H2,2-3H3,(H,10,11)
InChIKeySWAGZXMVJWURII-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.95
Rot. Bonds7

About butan-2-yloxy(pent-4-enyl)phosphinic acid

butan-2-yloxy(pent-4-enyl)phosphinic acid (PubChem CID 87459659) has the molecular formula C9H19O3P and a molecular weight of 206.22 g/mol. Its IUPAC name is butan-2-yloxy(pent-4-enyl)phosphinic acid.

Molecular Properties

Compound Namebutan-2-yloxy(pent-4-enyl)phosphinic acid
PubChem CID87459659
Molecular FormulaC9H19O3P
Molecular Weight206.22 g/mol
Exact Mass206.11
IUPAC Namebutan-2-yloxy(pent-4-enyl)phosphinic acid
SMILESC=CCCCP(=O)(O)OC(C)CC
InChIInChI=1S/C9H19O3P/c1-4-6-7-8-13(10,11)12-9(3)5-2/h4,9H,1,5-8H2,2-3H3,(H,10,11)
InChIKeySWAGZXMVJWURII-UHFFFAOYSA-N
XLogP2.95
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.95
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of butan-2-yloxy(pent-4-enyl)phosphinic acid?
The IUPAC name of butan-2-yloxy(pent-4-enyl)phosphinic acid (CID 87459659) is butan-2-yloxy(pent-4-enyl)phosphinic acid.
What is the SMILES notation for butan-2-yloxy(pent-4-enyl)phosphinic acid?
The canonical SMILES for butan-2-yloxy(pent-4-enyl)phosphinic acid is C=CCCCP(=O)(O)OC(C)CC.
What is the InChIKey of butan-2-yloxy(pent-4-enyl)phosphinic acid?
The InChIKey is SWAGZXMVJWURII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O3P/c1-4-6-7-8-13(10,11)12-9(3)5-2/h4,9H,1,5-8H2,2-3H3,(H,10,11).
What are the key properties of butan-2-yloxy(pent-4-enyl)phosphinic acid?
butan-2-yloxy(pent-4-enyl)phosphinic acid has a molecular weight of 206.22 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yloxy(pent-4-enyl)phosphinic acid is sourced from PubChem (CID 87459659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).