1-cyclopentylidenehex-1-en-2-yl(ethoxy)phosphinic acid

C13H23O3P — CID 25215581

IUPAC1-cyclopentylidenehex-1-en-2-yl(ethoxy)phosphinic acid
SMILESCCCCC(=C=C1CCCC1)P(=O)(O)OCC
InChIInChI=1S/C13H23O3P/c1-3-5-10-13(17(14,15)16-4-2)11-12-8-6-7-9-12/h3-10H2,1-2H3,(H,14,15)
InChIKeyBCBAJGPTMPGGOX-UHFFFAOYSA-N
MW258.30 g/mol
LogP4.38
Rot. Bonds6

About 1-cyclopentylidenehex-1-en-2-yl(ethoxy)phosphinic acid

1-cyclopentylidenehex-1-en-2-yl(ethoxy)phosphinic acid (PubChem CID 25215581) has the molecular formula C13H23O3P and a molecular weight of 258.30 g/mol. Its IUPAC name is 1-cyclopentylidenehex-1-en-2-yl(ethoxy)phosphinic acid.

Molecular Properties

Compound Name1-cyclopentylidenehex-1-en-2-yl(ethoxy)phosphinic acid
PubChem CID25215581
Molecular FormulaC13H23O3P
Molecular Weight258.30 g/mol
Exact Mass258.14
IUPAC Name1-cyclopentylidenehex-1-en-2-yl(ethoxy)phosphinic acid
SMILESCCCCC(=C=C1CCCC1)P(=O)(O)OCC
InChIInChI=1S/C13H23O3P/c1-3-5-10-13(17(14,15)16-4-2)11-12-8-6-7-9-12/h3-10H2,1-2H3,(H,14,15)
InChIKeyBCBAJGPTMPGGOX-UHFFFAOYSA-N
XLogP4.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 54.38
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

(2-Diethoxyphosphoryl-3,3,3-trifluoroprop-1-enylidene)cyclopentane
CID 102260719
[Chloro(diethoxyphosphoryl)methylidene]cyclopentane
CID 10824734
4-Diethoxyphosphoryl-2-methylocta-2,3-diene
CID 25215108
5-Diethoxyphosphoryl-3-methylnona-3,4-diene
CID 25215351
Ethoxy(hepta-1,2-dien-3-yl)phosphinic acid
CID 25215583
Ethoxy(2-methylocta-2,3-dien-4-yl)phosphinic acid
CID 25216260
Diethyl (1-cyclopentylidene-3-hydroxyprop-1-en-2-yl)phosphonate
CID 129752517
Copper(1+);1-diethoxyphosphoryl-2-methylhex-1-ene
CID 134889895
(2-Bromo-2-diethoxyphosphorylethenylidene)cyclopentane
CID 134894302
(1E)-1-(diethoxyphosphorylmethylidene)-2-fluorocyclopentane
CID 101027985
(1-Diethoxyphosphoryl-2-ethylbut-1-enyl)phosphonic acid
CID 87547587
(1E)-1-(diethoxyphosphorylmethylidene)-2-methylidenecyclopentane
CID 11053418

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylidenehex-1-en-2-yl(ethoxy)phosphinic acid?
The IUPAC name of 1-cyclopentylidenehex-1-en-2-yl(ethoxy)phosphinic acid (CID 25215581) is 1-cyclopentylidenehex-1-en-2-yl(ethoxy)phosphinic acid.
What is the SMILES notation for 1-cyclopentylidenehex-1-en-2-yl(ethoxy)phosphinic acid?
The canonical SMILES for 1-cyclopentylidenehex-1-en-2-yl(ethoxy)phosphinic acid is CCCCC(=C=C1CCCC1)P(=O)(O)OCC.
What is the InChIKey of 1-cyclopentylidenehex-1-en-2-yl(ethoxy)phosphinic acid?
The InChIKey is BCBAJGPTMPGGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23O3P/c1-3-5-10-13(17(14,15)16-4-2)11-12-8-6-7-9-12/h3-10H2,1-2H3,(H,14,15).
What are the key properties of 1-cyclopentylidenehex-1-en-2-yl(ethoxy)phosphinic acid?
1-cyclopentylidenehex-1-en-2-yl(ethoxy)phosphinic acid has a molecular weight of 258.30 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylidenehex-1-en-2-yl(ethoxy)phosphinic acid is sourced from PubChem (CID 25215581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).