(E)-1-diethoxyphosphoryl-3-methylundec-1-en-4-ol

C16H33O4P — CID 10663508

IUPAC(E)-1-diethoxyphosphoryl-3-methylundec-1-en-4-ol
SMILESCCCCCCCC(O)C(C)/C=C/P(=O)(OCC)OCC
InChIInChI=1S/C16H33O4P/c1-5-8-9-10-11-12-16(17)15(4)13-14-21(18,19-6-2)20-7-3/h13-17H,5-12H2,1-4H3/b14-13+
InChIKeyYZEBHQSFLISRQR-BUHFOSPRSA-N
MW320.41 g/mol
LogP5.12
Rot. Bonds13

About (E)-1-diethoxyphosphoryl-3-methylundec-1-en-4-ol

(E)-1-diethoxyphosphoryl-3-methylundec-1-en-4-ol (PubChem CID 10663508) has the molecular formula C16H33O4P and a molecular weight of 320.41 g/mol. Its IUPAC name is (E)-1-diethoxyphosphoryl-3-methylundec-1-en-4-ol.

Molecular Properties

Compound Name(E)-1-diethoxyphosphoryl-3-methylundec-1-en-4-ol
PubChem CID10663508
Molecular FormulaC16H33O4P
Molecular Weight320.41 g/mol
Exact Mass320.21
IUPAC Name(E)-1-diethoxyphosphoryl-3-methylundec-1-en-4-ol
SMILESCCCCCCCC(O)C(C)/C=C/P(=O)(OCC)OCC
InChIInChI=1S/C16H33O4P/c1-5-8-9-10-11-12-16(17)15(4)13-14-21(18,19-6-2)20-7-3/h13-17H,5-12H2,1-4H3/b14-13+
InChIKeyYZEBHQSFLISRQR-BUHFOSPRSA-N
XLogP5.12
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.41
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-diethoxyphosphoryl-3-methylundec-1-en-4-ol?
The IUPAC name of (E)-1-diethoxyphosphoryl-3-methylundec-1-en-4-ol (CID 10663508) is (E)-1-diethoxyphosphoryl-3-methylundec-1-en-4-ol.
What is the SMILES notation for (E)-1-diethoxyphosphoryl-3-methylundec-1-en-4-ol?
The canonical SMILES for (E)-1-diethoxyphosphoryl-3-methylundec-1-en-4-ol is CCCCCCCC(O)C(C)/C=C/P(=O)(OCC)OCC.
What is the InChIKey of (E)-1-diethoxyphosphoryl-3-methylundec-1-en-4-ol?
The InChIKey is YZEBHQSFLISRQR-BUHFOSPRSA-N. The full InChI is InChI=1S/C16H33O4P/c1-5-8-9-10-11-12-16(17)15(4)13-14-21(18,19-6-2)20-7-3/h13-17H,5-12H2,1-4H3/b14-13+.
What are the key properties of (E)-1-diethoxyphosphoryl-3-methylundec-1-en-4-ol?
(E)-1-diethoxyphosphoryl-3-methylundec-1-en-4-ol has a molecular weight of 320.41 g/mol, XLogP of 5.12, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-diethoxyphosphoryl-3-methylundec-1-en-4-ol is sourced from PubChem (CID 10663508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).