4-diethoxyphosphoryl-5-methoxy-2-methylpenta-2,3-dien-1-ol

C11H21O5P — CID 10754076

IUPAC4-diethoxyphosphoryl-5-methoxy-2-methylpenta-2,3-dien-1-ol
SMILESCCOP(=O)(OCC)C(=C=C(C)CO)COC
InChIInChI=1S/C11H21O5P/c1-5-15-17(13,16-6-2)11(9-14-4)7-10(3)8-12/h12H,5-6,8-9H2,1-4H3
InChIKeyKQEKPRCYCAAPFK-UHFFFAOYSA-N
MW264.26 g/mol
LogP2.32
Rot. Bonds8

About 4-diethoxyphosphoryl-5-methoxy-2-methylpenta-2,3-dien-1-ol

4-diethoxyphosphoryl-5-methoxy-2-methylpenta-2,3-dien-1-ol (PubChem CID 10754076) has the molecular formula C11H21O5P and a molecular weight of 264.26 g/mol. Its IUPAC name is 4-diethoxyphosphoryl-5-methoxy-2-methylpenta-2,3-dien-1-ol.

Molecular Properties

Compound Name4-diethoxyphosphoryl-5-methoxy-2-methylpenta-2,3-dien-1-ol
PubChem CID10754076
Molecular FormulaC11H21O5P
Molecular Weight264.26 g/mol
Exact Mass264.11
IUPAC Name4-diethoxyphosphoryl-5-methoxy-2-methylpenta-2,3-dien-1-ol
SMILESCCOP(=O)(OCC)C(=C=C(C)CO)COC
InChIInChI=1S/C11H21O5P/c1-5-15-17(13,16-6-2)11(9-14-4)7-10(3)8-12/h12H,5-6,8-9H2,1-4H3
InChIKeyKQEKPRCYCAAPFK-UHFFFAOYSA-N
XLogP2.32
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-diethoxyphosphoryl-5-(1-ethoxyethoxy)-2-methylpenta-2,3-dien-1-ol
CID 100942270
4-diethoxyphosphoryl-1-(1-ethoxyethoxy)-2-methylhepta-2,3-diene
CID 10592829
1-(4-diethoxyphosphoryl-2-methylhepta-2,3-dienyl)-5-methylpyrimidine-2,4-dione
CID 11337676
bis(diethoxyphosphoryl)methanimine
CID 87803281
(E)-1,2-bis(diethoxyphosphoryl)prop-1-ene
CID 14294563
1-[ethoxy(methoxymethyl)phosphoryl]oxyethane
CID 11658394
2,3-bis(diethoxyphosphoryl)buta-1,3-diene
CID 23364349
(E)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene
CID 14115301
diethoxyphosphorylcarbonyl(trihydroxy)phosphanium
CID 57080631
ethoxy(3-methylnona-3,4-dien-5-yl)phosphinic acid
CID 25215582
5-chloro-2-diethoxyphosphorylnona-2,3-dien-1-ol
CID 102578556
diethyl hydrogen phosphate;sulfane
CID 88774651

Frequently Asked Questions

What is the IUPAC name of 4-diethoxyphosphoryl-5-methoxy-2-methylpenta-2,3-dien-1-ol?
The IUPAC name of 4-diethoxyphosphoryl-5-methoxy-2-methylpenta-2,3-dien-1-ol (CID 10754076) is 4-diethoxyphosphoryl-5-methoxy-2-methylpenta-2,3-dien-1-ol.
What is the SMILES notation for 4-diethoxyphosphoryl-5-methoxy-2-methylpenta-2,3-dien-1-ol?
The canonical SMILES for 4-diethoxyphosphoryl-5-methoxy-2-methylpenta-2,3-dien-1-ol is CCOP(=O)(OCC)C(=C=C(C)CO)COC.
What is the InChIKey of 4-diethoxyphosphoryl-5-methoxy-2-methylpenta-2,3-dien-1-ol?
The InChIKey is KQEKPRCYCAAPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21O5P/c1-5-15-17(13,16-6-2)11(9-14-4)7-10(3)8-12/h12H,5-6,8-9H2,1-4H3.
What are the key properties of 4-diethoxyphosphoryl-5-methoxy-2-methylpenta-2,3-dien-1-ol?
4-diethoxyphosphoryl-5-methoxy-2-methylpenta-2,3-dien-1-ol has a molecular weight of 264.26 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethoxyphosphoryl-5-methoxy-2-methylpenta-2,3-dien-1-ol is sourced from PubChem (CID 10754076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).