1-diethoxyphosphorylpent-2-yne

C9H17O3P — CID 140969435

IUPAC1-diethoxyphosphorylpent-2-yne
SMILESCCC#CCP(=O)(OCC)OCC
InChIInChI=1S/C9H17O3P/c1-4-7-8-9-13(10,11-5-2)12-6-3/h4-6,9H2,1-3H3
InChIKeyAHPJCYHCVLPAEH-UHFFFAOYSA-N
MW204.21 g/mol
LogP2.67
Rot. Bonds5

About 1-diethoxyphosphorylpent-2-yne

1-diethoxyphosphorylpent-2-yne (PubChem CID 140969435) has the molecular formula C9H17O3P and a molecular weight of 204.21 g/mol. Its IUPAC name is 1-diethoxyphosphorylpent-2-yne.

Molecular Properties

Compound Name1-diethoxyphosphorylpent-2-yne
PubChem CID140969435
Molecular FormulaC9H17O3P
Molecular Weight204.21 g/mol
Exact Mass204.09
IUPAC Name1-diethoxyphosphorylpent-2-yne
SMILESCCC#CCP(=O)(OCC)OCC
InChIInChI=1S/C9H17O3P/c1-4-7-8-9-13(10,11-5-2)12-6-3/h4-6,9H2,1-3H3
InChIKeyAHPJCYHCVLPAEH-UHFFFAOYSA-N
XLogP2.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

lithium diethoxyphosphorylmethanesulfonate
CID 23683927
1-[ethoxy(methoxymethyl)phosphoryl]oxyethane
CID 11658394
sodium diethoxyphosphorylmethanol
CID 22274944
[ethoxy(ethyl)phosphoryl] hypochlorite
CID 87057693
2-[ethoxy(propan-2-yloxy)phosphoryl]acetonitrile
CID 146474105
2-diethoxyphosphorylethanesulfonic acid
CID 14904485
1-[ethyl(methylsulfinylmethoxy)phosphoryl]oxyethane
CID 57178539
3-diethoxyphosphorylprop-1-ene
CID 573014
2-diethoxyphosphorylethanamine;hydrochloride
CID 21435836
CID 23272700
CID 23272700
1-[fluoromethyl(methoxy)phosphoryl]oxyethane
CID 13426238
[ethoxy(ethyl)phosphoryl]oxymethylcyclopropane
CID 87083673

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphorylpent-2-yne?
The IUPAC name of 1-diethoxyphosphorylpent-2-yne (CID 140969435) is 1-diethoxyphosphorylpent-2-yne.
What is the SMILES notation for 1-diethoxyphosphorylpent-2-yne?
The canonical SMILES for 1-diethoxyphosphorylpent-2-yne is CCC#CCP(=O)(OCC)OCC.
What is the InChIKey of 1-diethoxyphosphorylpent-2-yne?
The InChIKey is AHPJCYHCVLPAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O3P/c1-4-7-8-9-13(10,11-5-2)12-6-3/h4-6,9H2,1-3H3.
What are the key properties of 1-diethoxyphosphorylpent-2-yne?
1-diethoxyphosphorylpent-2-yne has a molecular weight of 204.21 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphorylpent-2-yne is sourced from PubChem (CID 140969435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).