ethoxy(3-methylnona-3,4-dien-5-yl)phosphinic acid

C12H23O3P — CID 25215582

IUPACethoxy(3-methylnona-3,4-dien-5-yl)phosphinic acid
SMILESCCCCC(=C=C(C)CC)P(=O)(O)OCC
InChIInChI=1S/C12H23O3P/c1-5-8-9-12(10-11(4)6-2)16(13,14)15-7-3/h5-9H2,1-4H3,(H,13,14)
InChIKeyJWXLOQHFBUVWOM-UHFFFAOYSA-N
MW246.29 g/mol
LogP4.24
Rot. Bonds7

About ethoxy(3-methylnona-3,4-dien-5-yl)phosphinic acid

ethoxy(3-methylnona-3,4-dien-5-yl)phosphinic acid (PubChem CID 25215582) has the molecular formula C12H23O3P and a molecular weight of 246.29 g/mol. Its IUPAC name is ethoxy(3-methylnona-3,4-dien-5-yl)phosphinic acid.

Molecular Properties

Compound Nameethoxy(3-methylnona-3,4-dien-5-yl)phosphinic acid
PubChem CID25215582
Molecular FormulaC12H23O3P
Molecular Weight246.29 g/mol
Exact Mass246.14
IUPAC Nameethoxy(3-methylnona-3,4-dien-5-yl)phosphinic acid
SMILESCCCCC(=C=C(C)CC)P(=O)(O)OCC
InChIInChI=1S/C12H23O3P/c1-5-8-9-12(10-11(4)6-2)16(13,14)15-7-3/h5-9H2,1-4H3,(H,13,14)
InChIKeyJWXLOQHFBUVWOM-UHFFFAOYSA-N
XLogP4.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 54.24
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

ethoxy(3-ethylundeca-3,4-dien-5-yl)phosphinic acid
CID 25214087
deca-5,6-dien-5-yl(ethoxy)phosphinic acid
CID 25214089
2-diethoxyphosphorylhex-1-enylidenecyclohexane
CID 25215350
ethoxy-(4-methyl-1-phenylpenta-2,3-dien-2-yl)phosphinic acid
CID 25215352
ethoxy-[1-[ethoxy(hydroxy)phosphoryl]ethenyl]phosphinic acid
CID 101374265
5-(diethoxyphosphorylmethylidene)nonane
CID 10660090
(Z)-3-diethoxyphosphorylhept-2-ene
CID 101401796
4-diethoxyphosphoryl-1-(1-ethoxyethoxy)-2-methylhepta-2,3-diene
CID 10592829
4-diethoxyphosphoryl-5-methoxy-2-methylpenta-2,3-dien-1-ol
CID 10754076
(E)-1-diethoxyphosphoryl-2-methylhept-1-ene
CID 10753066
dipentanoyl hexanedioate
CID 174373362
butane;ethoxy(hexyl)phosphinic acid
CID 174841560

Frequently Asked Questions

What is the IUPAC name of ethoxy(3-methylnona-3,4-dien-5-yl)phosphinic acid?
The IUPAC name of ethoxy(3-methylnona-3,4-dien-5-yl)phosphinic acid (CID 25215582) is ethoxy(3-methylnona-3,4-dien-5-yl)phosphinic acid.
What is the SMILES notation for ethoxy(3-methylnona-3,4-dien-5-yl)phosphinic acid?
The canonical SMILES for ethoxy(3-methylnona-3,4-dien-5-yl)phosphinic acid is CCCCC(=C=C(C)CC)P(=O)(O)OCC.
What is the InChIKey of ethoxy(3-methylnona-3,4-dien-5-yl)phosphinic acid?
The InChIKey is JWXLOQHFBUVWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23O3P/c1-5-8-9-12(10-11(4)6-2)16(13,14)15-7-3/h5-9H2,1-4H3,(H,13,14).
What are the key properties of ethoxy(3-methylnona-3,4-dien-5-yl)phosphinic acid?
ethoxy(3-methylnona-3,4-dien-5-yl)phosphinic acid has a molecular weight of 246.29 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy(3-methylnona-3,4-dien-5-yl)phosphinic acid is sourced from PubChem (CID 25215582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).