(E)-1-diethoxyphosphoryl-3-methyloct-1-ene

C13H27O3P — CID 134895029

IUPAC(E)-1-diethoxyphosphoryl-3-methyloct-1-ene
SMILESCCCCCC(C)/C=C/P(=O)(OCC)OCC
InChIInChI=1S/C13H27O3P/c1-5-8-9-10-13(4)11-12-17(14,15-6-2)16-7-3/h11-13H,5-10H2,1-4H3/b12-11+
InChIKeyTWYVPQIXRHSQAE-VAWYXSNFSA-N
MW262.33 g/mol
LogP4.98
Rot. Bonds10

About (E)-1-diethoxyphosphoryl-3-methyloct-1-ene

(E)-1-diethoxyphosphoryl-3-methyloct-1-ene (PubChem CID 134895029) has the molecular formula C13H27O3P and a molecular weight of 262.33 g/mol. Its IUPAC name is (E)-1-diethoxyphosphoryl-3-methyloct-1-ene.

Molecular Properties

Compound Name(E)-1-diethoxyphosphoryl-3-methyloct-1-ene
PubChem CID134895029
Molecular FormulaC13H27O3P
Molecular Weight262.33 g/mol
Exact Mass262.17
IUPAC Name(E)-1-diethoxyphosphoryl-3-methyloct-1-ene
SMILESCCCCCC(C)/C=C/P(=O)(OCC)OCC
InChIInChI=1S/C13H27O3P/c1-5-8-9-10-13(4)11-12-17(14,15-6-2)16-7-3/h11-13H,5-10H2,1-4H3/b12-11+
InChIKeyTWYVPQIXRHSQAE-VAWYXSNFSA-N
XLogP4.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(E)-1-diethoxyphosphoryloct-1-ene
CID 11032225
Diethyl undec-10-en-1-ylphosphonate
CID 23420214
6-Diethoxyphosphorylhept-1-ene
CID 85795853
Phosphonic acid, 7-octenyl-, diethyl ester
CID 10682001
(E)-1-diethoxyphosphorylhept-1-ene
CID 10879051
Diethyl oct-1-en-1-ylphosphonate
CID 54302676
(3E)-3-(diethoxyphosphorylmethylidene)-2,2-dimethylheptane
CID 10588496
ethoxy-[(E)-oct-1-enyl]-oxophosphanium
CID 11298657
(E)-1-diethoxyphosphoryl-non-1-ene
CID 11402777
(E)-1-diethoxyphosphoryl-4-methylpent-1-ene
CID 13291223
diethyl (E)-(2-cyclohexylvinyl)phosphonate
CID 14493786
[(E)-2-di(propan-2-yloxy)phosphorylethenyl]cyclohexane
CID 101157518

Frequently Asked Questions

What is the IUPAC name of (E)-1-diethoxyphosphoryl-3-methyloct-1-ene?
The IUPAC name of (E)-1-diethoxyphosphoryl-3-methyloct-1-ene (CID 134895029) is (E)-1-diethoxyphosphoryl-3-methyloct-1-ene.
What is the SMILES notation for (E)-1-diethoxyphosphoryl-3-methyloct-1-ene?
The canonical SMILES for (E)-1-diethoxyphosphoryl-3-methyloct-1-ene is CCCCCC(C)/C=C/P(=O)(OCC)OCC.
What is the InChIKey of (E)-1-diethoxyphosphoryl-3-methyloct-1-ene?
The InChIKey is TWYVPQIXRHSQAE-VAWYXSNFSA-N. The full InChI is InChI=1S/C13H27O3P/c1-5-8-9-10-13(4)11-12-17(14,15-6-2)16-7-3/h11-13H,5-10H2,1-4H3/b12-11+.
What are the key properties of (E)-1-diethoxyphosphoryl-3-methyloct-1-ene?
(E)-1-diethoxyphosphoryl-3-methyloct-1-ene has a molecular weight of 262.33 g/mol, XLogP of 4.98, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-diethoxyphosphoryl-3-methyloct-1-ene is sourced from PubChem (CID 134895029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).