(E)-1-diethoxyphosphoryl-2,3-dimethyloct-1-ene

C14H29O3P — CID 134895023

IUPAC(E)-1-diethoxyphosphoryl-2,3-dimethyloct-1-ene
SMILESCCCCCC(C)/C(C)=C/P(=O)(OCC)OCC
InChIInChI=1S/C14H29O3P/c1-6-9-10-11-13(4)14(5)12-18(15,16-7-2)17-8-3/h12-13H,6-11H2,1-5H3/b14-12+
InChIKeyNUMNLEHENLWXIN-WYMLVPIESA-N
MW276.36 g/mol
LogP5.37
Rot. Bonds10

About (E)-1-diethoxyphosphoryl-2,3-dimethyloct-1-ene

(E)-1-diethoxyphosphoryl-2,3-dimethyloct-1-ene (PubChem CID 134895023) has the molecular formula C14H29O3P and a molecular weight of 276.36 g/mol. Its IUPAC name is (E)-1-diethoxyphosphoryl-2,3-dimethyloct-1-ene.

Molecular Properties

Compound Name(E)-1-diethoxyphosphoryl-2,3-dimethyloct-1-ene
PubChem CID134895023
Molecular FormulaC14H29O3P
Molecular Weight276.36 g/mol
Exact Mass276.19
IUPAC Name(E)-1-diethoxyphosphoryl-2,3-dimethyloct-1-ene
SMILESCCCCCC(C)/C(C)=C/P(=O)(OCC)OCC
InChIInChI=1S/C14H29O3P/c1-6-9-10-11-13(4)14(5)12-18(15,16-7-2)17-8-3/h12-13H,6-11H2,1-5H3/b14-12+
InChIKeyNUMNLEHENLWXIN-WYMLVPIESA-N
XLogP5.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.36
LogP ≤ 55.37
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

Diethyl[2-methyl-5-(propan-2-yl)cyclohex-2-en-1-yl]phosphonate
CID 277402
(3Z)-3-(diethoxyphosphorylmethylidene)heptane
CID 10562512
(3E)-3-(diethoxyphosphorylmethylidene)-2,2-dimethylheptane
CID 10588496
5-(Diethoxyphosphorylmethylidene)nonane
CID 10660090
(E)-1-diethoxyphosphoryl-2-methyloct-1-ene
CID 10849072
diethyl (E)-(2-cyclohexylvinyl)phosphonate
CID 14493786
(1-Cyclopentyl-3-dimethoxyphosphorylpropa-1,2-dienyl)cyclopentane
CID 134873347
(1E)-1-(diethoxyphosphorylmethylidene)-2-pentylcyclohexane
CID 134877861
(1E)-1-(diethoxyphosphorylmethylidene)-2-methylcyclohexane
CID 134895021
(E)-1-diethoxyphosphoryl-3-methyloct-1-ene
CID 134895029
(1E,4S)-1-(diethoxyphosphorylmethylidene)-2-fluoro-4-prop-1-en-2-ylcyclohexane
CID 101027986
[(Z)-1-diethoxyphosphoryl-3,3,3-trifluoroprop-1-en-2-yl]cyclohexane
CID 101841951

Frequently Asked Questions

What is the IUPAC name of (E)-1-diethoxyphosphoryl-2,3-dimethyloct-1-ene?
The IUPAC name of (E)-1-diethoxyphosphoryl-2,3-dimethyloct-1-ene (CID 134895023) is (E)-1-diethoxyphosphoryl-2,3-dimethyloct-1-ene.
What is the SMILES notation for (E)-1-diethoxyphosphoryl-2,3-dimethyloct-1-ene?
The canonical SMILES for (E)-1-diethoxyphosphoryl-2,3-dimethyloct-1-ene is CCCCCC(C)/C(C)=C/P(=O)(OCC)OCC.
What is the InChIKey of (E)-1-diethoxyphosphoryl-2,3-dimethyloct-1-ene?
The InChIKey is NUMNLEHENLWXIN-WYMLVPIESA-N. The full InChI is InChI=1S/C14H29O3P/c1-6-9-10-11-13(4)14(5)12-18(15,16-7-2)17-8-3/h12-13H,6-11H2,1-5H3/b14-12+.
What are the key properties of (E)-1-diethoxyphosphoryl-2,3-dimethyloct-1-ene?
(E)-1-diethoxyphosphoryl-2,3-dimethyloct-1-ene has a molecular weight of 276.36 g/mol, XLogP of 5.37, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-diethoxyphosphoryl-2,3-dimethyloct-1-ene is sourced from PubChem (CID 134895023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).