5-diethoxyphosphoryl-2-methylhexa-2,3-diene

C11H21O3P — CID 12534457

IUPAC5-diethoxyphosphoryl-2-methylhexa-2,3-diene
SMILESCCOP(=O)(OCC)C(C)C=C=C(C)C
InChIInChI=1S/C11H21O3P/c1-6-13-15(12,14-7-2)11(5)9-8-10(3)4/h9,11H,6-7H2,1-5H3
InChIKeyYAWSINIERXSYJN-UHFFFAOYSA-N
MW232.26 g/mol
LogP3.76
Rot. Bonds6

About 5-diethoxyphosphoryl-2-methylhexa-2,3-diene

5-diethoxyphosphoryl-2-methylhexa-2,3-diene (PubChem CID 12534457) has the molecular formula C11H21O3P and a molecular weight of 232.26 g/mol. Its IUPAC name is 5-diethoxyphosphoryl-2-methylhexa-2,3-diene.

Molecular Properties

Compound Name5-diethoxyphosphoryl-2-methylhexa-2,3-diene
PubChem CID12534457
Molecular FormulaC11H21O3P
Molecular Weight232.26 g/mol
Exact Mass232.12
IUPAC Name5-diethoxyphosphoryl-2-methylhexa-2,3-diene
SMILESCCOP(=O)(OCC)C(C)C=C=C(C)C
InChIInChI=1S/C11H21O3P/c1-6-13-15(12,14-7-2)11(5)9-8-10(3)4/h9,11H,6-7H2,1-5H3
InChIKeyYAWSINIERXSYJN-UHFFFAOYSA-N
XLogP3.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 53.76
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

Diethyl 3-butenylphosphonate
CID 10997850
Diethyl (2-methylallyl)phosphonate
CID 11008747
Diethyl 3-methyl-1,2-butadienylphosphonate
CID 380886
1-Butoxy-4-methyl-2,3-dihydro-1lambda5-phosphole 1-oxide
CID 312437
Diethyl (3-methylbut-2-en-1-yl)phosphonate
CID 11106521
diethyl (E)-(3,3-dimethylbut-1-en-1-yl)phosphonate
CID 11790710
(E)-1-diethoxyphosphoryl-3-methylbut-1-ene
CID 11830581
(4-Pentenyl)phosphonic acid diethyl ester
CID 13462469
O,O-diethyl (1-fluorobut-1-enyl)phosphonate
CID 129879750
(E)-1-diethoxyphosphoryl-3-fluoro-3-methylbut-1-ene
CID 134933674
1-[Butoxy(2-methylprop-1-enyl)phosphoryl]oxybutane
CID 11172694
Diethyl (5-methylhexa-1,3,4-trien-3-yl)phosphonate
CID 12520739

Frequently Asked Questions

What is the IUPAC name of 5-diethoxyphosphoryl-2-methylhexa-2,3-diene?
The IUPAC name of 5-diethoxyphosphoryl-2-methylhexa-2,3-diene (CID 12534457) is 5-diethoxyphosphoryl-2-methylhexa-2,3-diene.
What is the SMILES notation for 5-diethoxyphosphoryl-2-methylhexa-2,3-diene?
The canonical SMILES for 5-diethoxyphosphoryl-2-methylhexa-2,3-diene is CCOP(=O)(OCC)C(C)C=C=C(C)C.
What is the InChIKey of 5-diethoxyphosphoryl-2-methylhexa-2,3-diene?
The InChIKey is YAWSINIERXSYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21O3P/c1-6-13-15(12,14-7-2)11(5)9-8-10(3)4/h9,11H,6-7H2,1-5H3.
What are the key properties of 5-diethoxyphosphoryl-2-methylhexa-2,3-diene?
5-diethoxyphosphoryl-2-methylhexa-2,3-diene has a molecular weight of 232.26 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diethoxyphosphoryl-2-methylhexa-2,3-diene is sourced from PubChem (CID 12534457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).