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

C14H29O3P — CID 134894993

IUPAC(E)-1-diethoxyphosphoryl-2,3-dimethyloct-2-ene
SMILESCCCCC/C(C)=C(\C)CP(=O)(OCC)OCC
InChIInChI=1S/C14H29O3P/c1-6-9-10-11-13(4)14(5)12-18(15,16-7-2)17-8-3/h6-12H2,1-5H3/b14-13+
InChIKeyOKSANNUGZGXCSN-BUHFOSPRSA-N
MW276.36 g/mol
LogP5.17
Rot. Bonds10

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

(E)-1-diethoxyphosphoryl-2,3-dimethyloct-2-ene (PubChem CID 134894993) has the molecular formula C14H29O3P and a molecular weight of 276.36 g/mol. Its IUPAC name is (E)-1-diethoxyphosphoryl-2,3-dimethyloct-2-ene.

Molecular Properties

Compound Name(E)-1-diethoxyphosphoryl-2,3-dimethyloct-2-ene
PubChem CID134894993
Molecular FormulaC14H29O3P
Molecular Weight276.36 g/mol
Exact Mass276.19
IUPAC Name(E)-1-diethoxyphosphoryl-2,3-dimethyloct-2-ene
SMILESCCCCC/C(C)=C(\C)CP(=O)(OCC)OCC
InChIInChI=1S/C14H29O3P/c1-6-9-10-11-13(4)14(5)12-18(15,16-7-2)17-8-3/h6-12H2,1-5H3/b14-13+
InChIKeyOKSANNUGZGXCSN-BUHFOSPRSA-N
XLogP5.17
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 ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-(diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylhex-2-ene
CID 101921764
(3Z)-3-(diethoxyphosphorylmethylidene)heptane
CID 10562512
(4Z)-4-diethoxyphosphoryl-5-ethylnona-1,4-diene
CID 10589442
(Z)-1-diethoxyphosphoryl-2-methylhex-1-ene
CID 10633435
5-(Diethoxyphosphorylmethylidene)nonane
CID 10660090
(E)-1-diethoxyphosphoryl-2-methyloct-1-ene
CID 10849072
1-(Diethoxyphosphorylmethyl)cyclohexene
CID 11096460
3-(Diethoxyphosphorylmethyl)hepta-1,2-diene
CID 12533983
1-[Bis(diethoxyphosphoryl)methyl]cyclohexene
CID 85686325
1-(Diethoxyphosphorylmethyl)-2-pentylcyclohexene
CID 134877807
Copper(1+);3-(diethoxyphosphorylmethylidene)heptane
CID 134890014
1-(Diethoxyphosphorylmethyl)-2-methylcyclohexene
CID 134894958

Frequently Asked Questions

What is the IUPAC name of (E)-1-diethoxyphosphoryl-2,3-dimethyloct-2-ene?
The IUPAC name of (E)-1-diethoxyphosphoryl-2,3-dimethyloct-2-ene (CID 134894993) is (E)-1-diethoxyphosphoryl-2,3-dimethyloct-2-ene.
What is the SMILES notation for (E)-1-diethoxyphosphoryl-2,3-dimethyloct-2-ene?
The canonical SMILES for (E)-1-diethoxyphosphoryl-2,3-dimethyloct-2-ene is CCCCC/C(C)=C(\C)CP(=O)(OCC)OCC.
What is the InChIKey of (E)-1-diethoxyphosphoryl-2,3-dimethyloct-2-ene?
The InChIKey is OKSANNUGZGXCSN-BUHFOSPRSA-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/h6-12H2,1-5H3/b14-13+.
What are the key properties of (E)-1-diethoxyphosphoryl-2,3-dimethyloct-2-ene?
(E)-1-diethoxyphosphoryl-2,3-dimethyloct-2-ene has a molecular weight of 276.36 g/mol, XLogP of 5.17, 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-2-ene is sourced from PubChem (CID 134894993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).