(3E)-3-diethoxyphosphoryl-4-methylhexa-1,3-diene

C11H21O3P — CID 134988838

IUPAC(3E)-3-diethoxyphosphoryl-4-methylhexa-1,3-diene
SMILESC=C/C(=C(/C)CC)P(=O)(OCC)OCC
InChIInChI=1S/C11H21O3P/c1-6-10(5)11(7-2)15(12,13-8-3)14-9-4/h7H,2,6,8-9H2,1,3-5H3/b11-10+
InChIKeyGLNHHYZLXIHOJD-ZHACJKMWSA-N
MW232.26 g/mol
LogP4.12
Rot. Bonds7

About (3E)-3-diethoxyphosphoryl-4-methylhexa-1,3-diene

(3E)-3-diethoxyphosphoryl-4-methylhexa-1,3-diene (PubChem CID 134988838) has the molecular formula C11H21O3P and a molecular weight of 232.26 g/mol. Its IUPAC name is (3E)-3-diethoxyphosphoryl-4-methylhexa-1,3-diene.

Molecular Properties

Compound Name(3E)-3-diethoxyphosphoryl-4-methylhexa-1,3-diene
PubChem CID134988838
Molecular FormulaC11H21O3P
Molecular Weight232.26 g/mol
Exact Mass232.12
IUPAC Name(3E)-3-diethoxyphosphoryl-4-methylhexa-1,3-diene
SMILESC=C/C(=C(/C)CC)P(=O)(OCC)OCC
InChIInChI=1S/C11H21O3P/c1-6-10(5)11(7-2)15(12,13-8-3)14-9-4/h7H,2,6,8-9H2,1,3-5H3/b11-10+
InChIKeyGLNHHYZLXIHOJD-ZHACJKMWSA-N
XLogP4.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-bis(diethoxyphosphoryl)buta-1,3-diene
CID 23364349
(Z)-3-diethoxyphosphoryl-4-hydroxybut-3-en-2-one
CID 134922864
2-diethoxyphosphorylprop-2-enal
CID 10888762
bis(diethoxyphosphoryl)methanimine
CID 87803281
1-chloro-1-diethoxyphosphorylethene
CID 11481045
(E)-1,2-bis(diethoxyphosphoryl)prop-1-ene
CID 14294563
(E)-4-diethoxyphosphorylpent-3-en-2-one
CID 12505979
(4E)-4-diethoxyphosphoryl-3-methoxy-2-methylhexa-2,4-diene
CID 12890474
(E)-4-diethoxyphosphorylpent-3-enoate
CID 23615139
(E)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene
CID 14115301
(Z)-1-chloro-1-diethoxyphosphorylprop-1-ene
CID 10798622
(3Z)-3-[diethoxyphosphoryl(iodo)methylidene]hept-1-ene
CID 11474216

Frequently Asked Questions

What is the IUPAC name of (3E)-3-diethoxyphosphoryl-4-methylhexa-1,3-diene?
The IUPAC name of (3E)-3-diethoxyphosphoryl-4-methylhexa-1,3-diene (CID 134988838) is (3E)-3-diethoxyphosphoryl-4-methylhexa-1,3-diene.
What is the SMILES notation for (3E)-3-diethoxyphosphoryl-4-methylhexa-1,3-diene?
The canonical SMILES for (3E)-3-diethoxyphosphoryl-4-methylhexa-1,3-diene is C=C/C(=C(/C)CC)P(=O)(OCC)OCC.
What is the InChIKey of (3E)-3-diethoxyphosphoryl-4-methylhexa-1,3-diene?
The InChIKey is GLNHHYZLXIHOJD-ZHACJKMWSA-N. The full InChI is InChI=1S/C11H21O3P/c1-6-10(5)11(7-2)15(12,13-8-3)14-9-4/h7H,2,6,8-9H2,1,3-5H3/b11-10+.
What are the key properties of (3E)-3-diethoxyphosphoryl-4-methylhexa-1,3-diene?
(3E)-3-diethoxyphosphoryl-4-methylhexa-1,3-diene has a molecular weight of 232.26 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-diethoxyphosphoryl-4-methylhexa-1,3-diene is sourced from PubChem (CID 134988838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).