ethoxy(2-methylocta-2,3-dien-4-yl)phosphinic acid

C11H21O3P — CID 25216260

IUPACethoxy(2-methylocta-2,3-dien-4-yl)phosphinic acid
SMILESCCCCC(=C=C(C)C)P(=O)(O)OCC
InChIInChI=1S/C11H21O3P/c1-5-7-8-11(9-10(3)4)15(12,13)14-6-2/h5-8H2,1-4H3,(H,12,13)
InChIKeyWDYJYWLDDCVMLR-UHFFFAOYSA-N
MW232.26 g/mol
LogP3.85
Rot. Bonds6

About ethoxy(2-methylocta-2,3-dien-4-yl)phosphinic acid

ethoxy(2-methylocta-2,3-dien-4-yl)phosphinic acid (PubChem CID 25216260) has the molecular formula C11H21O3P and a molecular weight of 232.26 g/mol. Its IUPAC name is ethoxy(2-methylocta-2,3-dien-4-yl)phosphinic acid.

Molecular Properties

Compound Nameethoxy(2-methylocta-2,3-dien-4-yl)phosphinic acid
PubChem CID25216260
Molecular FormulaC11H21O3P
Molecular Weight232.26 g/mol
Exact Mass232.12
IUPAC Nameethoxy(2-methylocta-2,3-dien-4-yl)phosphinic acid
SMILESCCCCC(=C=C(C)C)P(=O)(O)OCC
InChIInChI=1S/C11H21O3P/c1-5-7-8-11(9-10(3)4)15(12,13)14-6-2/h5-8H2,1-4H3,(H,12,13)
InChIKeyWDYJYWLDDCVMLR-UHFFFAOYSA-N
XLogP3.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 53.85
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

(Z)-1-diethoxyphosphoryl-2-methylhex-1-ene
CID 10633435
3-(Diethoxyphosphorylmethyl)hepta-1,2-diene
CID 12533983
3-Diethoxyphosphorylhepta-1,2-diene
CID 16079428
4-Diethoxyphosphoryl-2-methylocta-2,3-diene
CID 25215108
6-Diethoxyphosphoryldeca-4,5-diene
CID 25215346
5-Diethoxyphosphoryl-3-methylnona-3,4-diene
CID 25215351
Ethoxy(hepta-1,2-dien-3-yl)phosphinic acid
CID 25215583
Copper(1+);1-diethoxyphosphoryl-2-methylhex-1-ene
CID 134889895
Copper(1+);3-(diethoxyphosphorylmethylidene)heptane
CID 134890014
5-Diethoxyphosphoryl-2-methylpent-1-ene
CID 11345027
(1-Diethoxyphosphoryl-2-ethylbut-1-enyl)phosphonic acid
CID 87547587
(1-Diethoxyphosphoryl-2-ethylbut-1-enoxy)-hydroxy-oxophosphanium
CID 87575425

Frequently Asked Questions

What is the IUPAC name of ethoxy(2-methylocta-2,3-dien-4-yl)phosphinic acid?
The IUPAC name of ethoxy(2-methylocta-2,3-dien-4-yl)phosphinic acid (CID 25216260) is ethoxy(2-methylocta-2,3-dien-4-yl)phosphinic acid.
What is the SMILES notation for ethoxy(2-methylocta-2,3-dien-4-yl)phosphinic acid?
The canonical SMILES for ethoxy(2-methylocta-2,3-dien-4-yl)phosphinic acid is CCCCC(=C=C(C)C)P(=O)(O)OCC.
What is the InChIKey of ethoxy(2-methylocta-2,3-dien-4-yl)phosphinic acid?
The InChIKey is WDYJYWLDDCVMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21O3P/c1-5-7-8-11(9-10(3)4)15(12,13)14-6-2/h5-8H2,1-4H3,(H,12,13).
What are the key properties of ethoxy(2-methylocta-2,3-dien-4-yl)phosphinic acid?
ethoxy(2-methylocta-2,3-dien-4-yl)phosphinic acid has a molecular weight of 232.26 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy(2-methylocta-2,3-dien-4-yl)phosphinic acid is sourced from PubChem (CID 25216260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).