2-[ethyl(pent-2-enyl)phosphoryl]oxypropan-1-ol

C10H21O3P — CID 166668748

IUPAC2-[ethyl(pent-2-enyl)phosphoryl]oxypropan-1-ol
SMILESCCC=CCP(=O)(CC)OC(C)CO
InChIInChI=1S/C10H21O3P/c1-4-6-7-8-14(12,5-2)13-10(3)9-11/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyOVTVOVUQGVPNCK-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.65
Rot. Bonds7

About 2-[ethyl(pent-2-enyl)phosphoryl]oxypropan-1-ol

2-[ethyl(pent-2-enyl)phosphoryl]oxypropan-1-ol (PubChem CID 166668748) has the molecular formula C10H21O3P and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-[ethyl(pent-2-enyl)phosphoryl]oxypropan-1-ol.

Molecular Properties

Compound Name2-[ethyl(pent-2-enyl)phosphoryl]oxypropan-1-ol
PubChem CID166668748
Molecular FormulaC10H21O3P
Molecular Weight220.25 g/mol
Exact Mass220.12
IUPAC Name2-[ethyl(pent-2-enyl)phosphoryl]oxypropan-1-ol
SMILESCCC=CCP(=O)(CC)OC(C)CO
InChIInChI=1S/C10H21O3P/c1-4-6-7-8-14(12,5-2)13-10(3)9-11/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyOVTVOVUQGVPNCK-UHFFFAOYSA-N
XLogP2.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(pent-2-enyl)phosphoryl]oxypropan-1-ol?
The IUPAC name of 2-[ethyl(pent-2-enyl)phosphoryl]oxypropan-1-ol (CID 166668748) is 2-[ethyl(pent-2-enyl)phosphoryl]oxypropan-1-ol.
What is the SMILES notation for 2-[ethyl(pent-2-enyl)phosphoryl]oxypropan-1-ol?
The canonical SMILES for 2-[ethyl(pent-2-enyl)phosphoryl]oxypropan-1-ol is CCC=CCP(=O)(CC)OC(C)CO.
What is the InChIKey of 2-[ethyl(pent-2-enyl)phosphoryl]oxypropan-1-ol?
The InChIKey is OVTVOVUQGVPNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O3P/c1-4-6-7-8-14(12,5-2)13-10(3)9-11/h6-7,10-11H,4-5,8-9H2,1-3H3.
What are the key properties of 2-[ethyl(pent-2-enyl)phosphoryl]oxypropan-1-ol?
2-[ethyl(pent-2-enyl)phosphoryl]oxypropan-1-ol has a molecular weight of 220.25 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(pent-2-enyl)phosphoryl]oxypropan-1-ol is sourced from PubChem (CID 166668748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).