4-diethoxyphosphoryl-5-(1-ethoxyethoxy)-2-methylpenta-2,3-dien-1-ol

C14H27O6P — CID 100942270

IUPAC4-diethoxyphosphoryl-5-(1-ethoxyethoxy)-2-methylpenta-2,3-dien-1-ol
SMILESCCOC(C)OCC(=C=C(C)CO)P(=O)(OCC)OCC
InChIInChI=1S/C14H27O6P/c1-6-17-13(5)18-11-14(9-12(4)10-15)21(16,19-7-2)20-8-3/h13,15H,6-8,10-11H2,1-5H3
InChIKeyVVBLKSLWMOOMDU-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.07
Rot. Bonds11

About 4-diethoxyphosphoryl-5-(1-ethoxyethoxy)-2-methylpenta-2,3-dien-1-ol

4-diethoxyphosphoryl-5-(1-ethoxyethoxy)-2-methylpenta-2,3-dien-1-ol (PubChem CID 100942270) has the molecular formula C14H27O6P and a molecular weight of 322.34 g/mol. Its IUPAC name is 4-diethoxyphosphoryl-5-(1-ethoxyethoxy)-2-methylpenta-2,3-dien-1-ol.

Molecular Properties

Compound Name4-diethoxyphosphoryl-5-(1-ethoxyethoxy)-2-methylpenta-2,3-dien-1-ol
PubChem CID100942270
Molecular FormulaC14H27O6P
Molecular Weight322.34 g/mol
Exact Mass322.15
IUPAC Name4-diethoxyphosphoryl-5-(1-ethoxyethoxy)-2-methylpenta-2,3-dien-1-ol
SMILESCCOC(C)OCC(=C=C(C)CO)P(=O)(OCC)OCC
InChIInChI=1S/C14H27O6P/c1-6-17-13(5)18-11-14(9-12(4)10-15)21(16,19-7-2)20-8-3/h13,15H,6-8,10-11H2,1-5H3
InChIKeyVVBLKSLWMOOMDU-UHFFFAOYSA-N
XLogP3.07
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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
1,1-diethoxyethane
CID 7765
1-ethoxyethyl 2-diethoxyphosphorylacetate
CID 88781181
carbonic acid;1,1-diethoxyethane
CID 87827362
butane;1,1-diethoxyethane;ethenone
CID 87967694
1,1-diethoxyethane;sulfane
CID 87563963
1,1-diethoxyethane;stannane
CID 87529398
1-(4-diethoxyphosphoryl-2-methylhepta-2,3-dienyl)-5-methylpyrimidine-2,4-dione
CID 11337676
diethoxyphosphorylcarbonyl(trihydroxy)phosphanium
CID 57080631
1-diethoxyphosphoryl-N-propan-2-ylethanimine
CID 151285044
acetaldehyde;butane;1,1-diethoxyethane
CID 87162704

Frequently Asked Questions

What is the IUPAC name of 4-diethoxyphosphoryl-5-(1-ethoxyethoxy)-2-methylpenta-2,3-dien-1-ol?
The IUPAC name of 4-diethoxyphosphoryl-5-(1-ethoxyethoxy)-2-methylpenta-2,3-dien-1-ol (CID 100942270) is 4-diethoxyphosphoryl-5-(1-ethoxyethoxy)-2-methylpenta-2,3-dien-1-ol.
What is the SMILES notation for 4-diethoxyphosphoryl-5-(1-ethoxyethoxy)-2-methylpenta-2,3-dien-1-ol?
The canonical SMILES for 4-diethoxyphosphoryl-5-(1-ethoxyethoxy)-2-methylpenta-2,3-dien-1-ol is CCOC(C)OCC(=C=C(C)CO)P(=O)(OCC)OCC.
What is the InChIKey of 4-diethoxyphosphoryl-5-(1-ethoxyethoxy)-2-methylpenta-2,3-dien-1-ol?
The InChIKey is VVBLKSLWMOOMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27O6P/c1-6-17-13(5)18-11-14(9-12(4)10-15)21(16,19-7-2)20-8-3/h13,15H,6-8,10-11H2,1-5H3.
What are the key properties of 4-diethoxyphosphoryl-5-(1-ethoxyethoxy)-2-methylpenta-2,3-dien-1-ol?
4-diethoxyphosphoryl-5-(1-ethoxyethoxy)-2-methylpenta-2,3-dien-1-ol has a molecular weight of 322.34 g/mol, XLogP of 3.07, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethoxyphosphoryl-5-(1-ethoxyethoxy)-2-methylpenta-2,3-dien-1-ol is sourced from PubChem (CID 100942270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).