ethoxy(hept-6-enyl)phosphinic acid

C9H19O3P — CID 57098735

IUPACethoxy(hept-6-enyl)phosphinic acid
SMILESC=CCCCCCP(=O)(O)OCC
InChIInChI=1S/C9H19O3P/c1-3-5-6-7-8-9-13(10,11)12-4-2/h3H,1,4-9H2,2H3,(H,10,11)
InChIKeyDELXEKTXGYTRLC-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.95
Rot. Bonds8

About ethoxy(hept-6-enyl)phosphinic acid

ethoxy(hept-6-enyl)phosphinic acid (PubChem CID 57098735) has the molecular formula C9H19O3P and a molecular weight of 206.22 g/mol. Its IUPAC name is ethoxy(hept-6-enyl)phosphinic acid.

Molecular Properties

Compound Nameethoxy(hept-6-enyl)phosphinic acid
PubChem CID57098735
Molecular FormulaC9H19O3P
Molecular Weight206.22 g/mol
Exact Mass206.11
IUPAC Nameethoxy(hept-6-enyl)phosphinic acid
SMILESC=CCCCCCP(=O)(O)OCC
InChIInChI=1S/C9H19O3P/c1-3-5-6-7-8-9-13(10,11)12-4-2/h3H,1,4-9H2,2H3,(H,10,11)
InChIKeyDELXEKTXGYTRLC-UHFFFAOYSA-N
XLogP2.95
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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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Related Compounds

ethoxy(undec-10-enyl)phosphinate
CID 71356470
butane;ethoxy(hexyl)phosphinic acid
CID 174841560
ethoxy(hexyl)phosphinic acid;methanol;phosphoric acid
CID 174685262
but-3-enoxy(butyl)phosphinic acid
CID 87154754
10-[ethoxy(hydroxy)phosphoryl]decanoic acid
CID 22016460
dichloromethane;ethoxy(hexyl)phosphinic acid
CID 174578772
hexadec-1-ene;phosphoric acid
CID 172734744
6-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]hex-1-ene
CID 129362430
but-3-enyl(methyl)phosphinic acid;hex-5-enyl(methyl)phosphinic acid
CID 159912714
11-[di(propan-2-yloxy)phosphorylmethyl-ethoxyphosphoryl]undec-1-ene
CID 21054116
6-(butylamino)hexyl-ethoxyphosphinic acid
CID 155661164
11-dibutoxyphosphorylundec-1-ene
CID 23108314

Frequently Asked Questions

What is the IUPAC name of ethoxy(hept-6-enyl)phosphinic acid?
The IUPAC name of ethoxy(hept-6-enyl)phosphinic acid (CID 57098735) is ethoxy(hept-6-enyl)phosphinic acid.
What is the SMILES notation for ethoxy(hept-6-enyl)phosphinic acid?
The canonical SMILES for ethoxy(hept-6-enyl)phosphinic acid is C=CCCCCCP(=O)(O)OCC.
What is the InChIKey of ethoxy(hept-6-enyl)phosphinic acid?
The InChIKey is DELXEKTXGYTRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O3P/c1-3-5-6-7-8-9-13(10,11)12-4-2/h3H,1,4-9H2,2H3,(H,10,11).
What are the key properties of ethoxy(hept-6-enyl)phosphinic acid?
ethoxy(hept-6-enyl)phosphinic acid has a molecular weight of 206.22 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy(hept-6-enyl)phosphinic acid is sourced from PubChem (CID 57098735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).