ethoxy(hepta-1,2-dien-3-yl)phosphinic acid

C9H17O3P — CID 25215583

IUPACethoxy(hepta-1,2-dien-3-yl)phosphinic acid
SMILESC=C=C(CCCC)P(=O)(O)OCC
InChIInChI=1S/C9H17O3P/c1-4-7-8-9(5-2)13(10,11)12-6-3/h2,4,6-8H2,1,3H3,(H,10,11)
InChIKeyKMRHFRSSUBRQPR-UHFFFAOYSA-N
MW204.21 g/mol
LogP3.07
Rot. Bonds6

About ethoxy(hepta-1,2-dien-3-yl)phosphinic acid

ethoxy(hepta-1,2-dien-3-yl)phosphinic acid (PubChem CID 25215583) has the molecular formula C9H17O3P and a molecular weight of 204.21 g/mol. Its IUPAC name is ethoxy(hepta-1,2-dien-3-yl)phosphinic acid.

Molecular Properties

Compound Nameethoxy(hepta-1,2-dien-3-yl)phosphinic acid
PubChem CID25215583
Molecular FormulaC9H17O3P
Molecular Weight204.21 g/mol
Exact Mass204.09
IUPAC Nameethoxy(hepta-1,2-dien-3-yl)phosphinic acid
SMILESC=C=C(CCCC)P(=O)(O)OCC
InChIInChI=1S/C9H17O3P/c1-4-7-8-9(5-2)13(10,11)12-6-3/h2,4,6-8H2,1,3H3,(H,10,11)
InChIKeyKMRHFRSSUBRQPR-UHFFFAOYSA-N
XLogP3.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Diethyl 1-octen-2-yl-phosphonate
CID 10857821
(Z)-1-diethoxyphosphorylhex-1-ene
CID 11063957
5-Diethoxyphosphorylhex-1-ene
CID 85795847
6-Diethoxyphosphorylhex-1-ene
CID 10466042
2-Diethoxyphosphorylbut-1-ene
CID 11844799
2-Diethoxyphosphoryl-3,3-dimethylbut-1-ene
CID 23421664
Butoxy-hex-1-en-2-yl-oxophosphanium
CID 12184504
3-(Diethoxyphosphorylmethyl)hepta-1,2-diene
CID 12533983
4-Diethoxyphosphorylpenta-1,2-diene
CID 12534453
1-Diethoxyphosphorylocta-1,2-diene
CID 13016165
3-Diethoxyphosphorylhepta-1,2-diene
CID 16079428
4-Diethoxyphosphoryl-2-methylocta-2,3-diene
CID 25215108

Frequently Asked Questions

What is the IUPAC name of ethoxy(hepta-1,2-dien-3-yl)phosphinic acid?
The IUPAC name of ethoxy(hepta-1,2-dien-3-yl)phosphinic acid (CID 25215583) is ethoxy(hepta-1,2-dien-3-yl)phosphinic acid.
What is the SMILES notation for ethoxy(hepta-1,2-dien-3-yl)phosphinic acid?
The canonical SMILES for ethoxy(hepta-1,2-dien-3-yl)phosphinic acid is C=C=C(CCCC)P(=O)(O)OCC.
What is the InChIKey of ethoxy(hepta-1,2-dien-3-yl)phosphinic acid?
The InChIKey is KMRHFRSSUBRQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O3P/c1-4-7-8-9(5-2)13(10,11)12-6-3/h2,4,6-8H2,1,3H3,(H,10,11).
What are the key properties of ethoxy(hepta-1,2-dien-3-yl)phosphinic acid?
ethoxy(hepta-1,2-dien-3-yl)phosphinic acid has a molecular weight of 204.21 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy(hepta-1,2-dien-3-yl)phosphinic acid is sourced from PubChem (CID 25215583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).