but-3-enyl(methyl)phosphinic acid;hex-5-enyl(methyl)phosphinic acid

C12H26O4P2 — CID 159912714

IUPACbut-3-enyl(methyl)phosphinic acid;hex-5-enyl(methyl)phosphinic acid
SMILESC=CCCCCP(C)(=O)O.C=CCCP(C)(=O)O
InChIInChI=1S/C7H15O2P.C5H11O2P/c1-3-4-5-6-7-10(2,8)9;1-3-4-5-8(2,6)7/h3H,1,4-7H2,2H3,(H,8,9);3H,1,4-5H2,2H3,(H,6,7)
InChIKeyNXJORWKSQUTFNK-UHFFFAOYSA-N
MW296.28 g/mol
LogP3.71
Rot. Bonds8

About but-3-enyl(methyl)phosphinic acid;hex-5-enyl(methyl)phosphinic acid

but-3-enyl(methyl)phosphinic acid;hex-5-enyl(methyl)phosphinic acid (PubChem CID 159912714) has the molecular formula C12H26O4P2 and a molecular weight of 296.28 g/mol. Its IUPAC name is but-3-enyl(methyl)phosphinic acid;hex-5-enyl(methyl)phosphinic acid.

Molecular Properties

Compound Namebut-3-enyl(methyl)phosphinic acid;hex-5-enyl(methyl)phosphinic acid
PubChem CID159912714
Molecular FormulaC12H26O4P2
Molecular Weight296.28 g/mol
Exact Mass296.13
IUPAC Namebut-3-enyl(methyl)phosphinic acid;hex-5-enyl(methyl)phosphinic acid
SMILESC=CCCCCP(C)(=O)O.C=CCCP(C)(=O)O
InChIInChI=1S/C7H15O2P.C5H11O2P/c1-3-4-5-6-7-10(2,8)9;1-3-4-5-8(2,6)7/h3H,1,4-7H2,2H3,(H,8,9);3H,1,4-5H2,2H3,(H,6,7)
InChIKeyNXJORWKSQUTFNK-UHFFFAOYSA-N
XLogP3.71
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 53.71
H-Bond Donors ≤ 52
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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Related Compounds

hexadec-1-ene;phosphoric acid
CID 172734744
ethoxy(hept-6-enyl)phosphinic acid
CID 57098735
bis(but-3-enyl)phosphinic acid
CID 10487444
4-[but-3-enyl(methyl)phosphoryl]but-1-ene
CID 135074007
butyl(methyl)phosphinic acid
CID 10909622
hex-5-ene-1,1-diamine;methylphosphonic acid
CID 21397790
ethoxy(undec-10-enyl)phosphinate
CID 71356470
heptadeca-1,16-diene
CID 6429392
heptacosa-1,26-diene
CID 58905535
11-dibutoxyphosphorylundec-1-ene
CID 23108314
ethene;octa-1,7-diene;prop-1-ene
CID 54599064
6-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]hex-1-ene
CID 129362430

Frequently Asked Questions

What is the IUPAC name of but-3-enyl(methyl)phosphinic acid;hex-5-enyl(methyl)phosphinic acid?
The IUPAC name of but-3-enyl(methyl)phosphinic acid;hex-5-enyl(methyl)phosphinic acid (CID 159912714) is but-3-enyl(methyl)phosphinic acid;hex-5-enyl(methyl)phosphinic acid.
What is the SMILES notation for but-3-enyl(methyl)phosphinic acid;hex-5-enyl(methyl)phosphinic acid?
The canonical SMILES for but-3-enyl(methyl)phosphinic acid;hex-5-enyl(methyl)phosphinic acid is C=CCCCCP(C)(=O)O.C=CCCP(C)(=O)O.
What is the InChIKey of but-3-enyl(methyl)phosphinic acid;hex-5-enyl(methyl)phosphinic acid?
The InChIKey is NXJORWKSQUTFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O2P.C5H11O2P/c1-3-4-5-6-7-10(2,8)9;1-3-4-5-8(2,6)7/h3H,1,4-7H2,2H3,(H,8,9);3H,1,4-5H2,2H3,(H,6,7).
What are the key properties of but-3-enyl(methyl)phosphinic acid;hex-5-enyl(methyl)phosphinic acid?
but-3-enyl(methyl)phosphinic acid;hex-5-enyl(methyl)phosphinic acid has a molecular weight of 296.28 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enyl(methyl)phosphinic acid;hex-5-enyl(methyl)phosphinic acid is sourced from PubChem (CID 159912714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).