(Z)-4-diethoxyphosphoryl-2-methyloct-3-ene

C13H27O3P — CID 101401802

IUPAC(Z)-4-diethoxyphosphoryl-2-methyloct-3-ene
SMILESCCCC/C(=C/C(C)C)P(=O)(OCC)OCC
InChIInChI=1S/C13H27O3P/c1-6-9-10-13(11-12(4)5)17(14,15-7-2)16-8-3/h11-12H,6-10H2,1-5H3/b13-11-
InChIKeyXQIHYZHKLSCRSO-QBFSEMIESA-N
MW262.33 g/mol
LogP4.98
Rot. Bonds9

About (Z)-4-diethoxyphosphoryl-2-methyloct-3-ene

(Z)-4-diethoxyphosphoryl-2-methyloct-3-ene (PubChem CID 101401802) has the molecular formula C13H27O3P and a molecular weight of 262.33 g/mol. Its IUPAC name is (Z)-4-diethoxyphosphoryl-2-methyloct-3-ene.

Molecular Properties

Compound Name(Z)-4-diethoxyphosphoryl-2-methyloct-3-ene
PubChem CID101401802
Molecular FormulaC13H27O3P
Molecular Weight262.33 g/mol
Exact Mass262.17
IUPAC Name(Z)-4-diethoxyphosphoryl-2-methyloct-3-ene
SMILESCCCC/C(=C/C(C)C)P(=O)(OCC)OCC
InChIInChI=1S/C13H27O3P/c1-6-9-10-13(11-12(4)5)17(14,15-7-2)16-8-3/h11-12H,6-10H2,1-5H3/b13-11-
InChIKeyXQIHYZHKLSCRSO-QBFSEMIESA-N
XLogP4.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E,6E)-Farnesyl phosphate
CID 46926298
Geranyl monophosphate
CID 52940120
(E)-1-diethoxyphosphoryloct-2-ene
CID 10444695
4-Diethoxyphosphorylcyclohexene
CID 85519806
1-Diethoxyphosphorylcyclohexene
CID 10560750
Diethoxyphosphorylcyclopentene
CID 10774533
[(2E)-3,7-dimethylocta-2,6-dienyl] diethyl phosphate
CID 11066197
(1E,3E)-1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene
CID 11266150
(E)-2-diethoxyphosphorylpent-2-ene
CID 13613003
3,7-Dimethylocta-2,6-dien-1-YL diethyl phosphate
CID 71400420
Dimethyl farnesylphosphonate
CID 85101259
Phosphono 3,7,11-trimethyldodeca-1,2,6,10-tetraenyl hydrogen phosphate
CID 123491980

Frequently Asked Questions

What is the IUPAC name of (Z)-4-diethoxyphosphoryl-2-methyloct-3-ene?
The IUPAC name of (Z)-4-diethoxyphosphoryl-2-methyloct-3-ene (CID 101401802) is (Z)-4-diethoxyphosphoryl-2-methyloct-3-ene.
What is the SMILES notation for (Z)-4-diethoxyphosphoryl-2-methyloct-3-ene?
The canonical SMILES for (Z)-4-diethoxyphosphoryl-2-methyloct-3-ene is CCCC/C(=C/C(C)C)P(=O)(OCC)OCC.
What is the InChIKey of (Z)-4-diethoxyphosphoryl-2-methyloct-3-ene?
The InChIKey is XQIHYZHKLSCRSO-QBFSEMIESA-N. The full InChI is InChI=1S/C13H27O3P/c1-6-9-10-13(11-12(4)5)17(14,15-7-2)16-8-3/h11-12H,6-10H2,1-5H3/b13-11-.
What are the key properties of (Z)-4-diethoxyphosphoryl-2-methyloct-3-ene?
(Z)-4-diethoxyphosphoryl-2-methyloct-3-ene has a molecular weight of 262.33 g/mol, XLogP of 4.98, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-diethoxyphosphoryl-2-methyloct-3-ene is sourced from PubChem (CID 101401802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).