1-chloro-4-diethoxyphosphoryl-2-methylnona-2,3-diene

C14H26ClO3P — CID 12007356

IUPAC1-chloro-4-diethoxyphosphoryl-2-methylnona-2,3-diene
SMILESCCCCCC(=C=C(C)CCl)P(=O)(OCC)OCC
InChIInChI=1S/C14H26ClO3P/c1-5-8-9-10-14(11-13(4)12-15)19(16,17-6-2)18-7-3/h5-10,12H2,1-4H3
InChIKeyZWGGICOPWWJGJZ-UHFFFAOYSA-N
MW308.79 g/mol
LogP5.50
Rot. Bonds10

About 1-chloro-4-diethoxyphosphoryl-2-methylnona-2,3-diene

1-chloro-4-diethoxyphosphoryl-2-methylnona-2,3-diene (PubChem CID 12007356) has the molecular formula C14H26ClO3P and a molecular weight of 308.79 g/mol. Its IUPAC name is 1-chloro-4-diethoxyphosphoryl-2-methylnona-2,3-diene.

Molecular Properties

Compound Name1-chloro-4-diethoxyphosphoryl-2-methylnona-2,3-diene
PubChem CID12007356
Molecular FormulaC14H26ClO3P
Molecular Weight308.79 g/mol
Exact Mass308.13
IUPAC Name1-chloro-4-diethoxyphosphoryl-2-methylnona-2,3-diene
SMILESCCCCCC(=C=C(C)CCl)P(=O)(OCC)OCC
InChIInChI=1S/C14H26ClO3P/c1-5-8-9-10-14(11-13(4)12-15)19(16,17-6-2)18-7-3/h5-10,12H2,1-4H3
InChIKeyZWGGICOPWWJGJZ-UHFFFAOYSA-N
XLogP5.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.79
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[Chloro(diethoxyphosphoryl)methylidene]cyclohexane
CID 10355595
[Chloro(diethoxyphosphoryl)methylidene]cyclopentane
CID 10824734
(2-Chloro-2-diethoxyphosphorylethenylidene)cyclohexane
CID 134922007
1-Chloro-4-diethoxyphosphoryl-2-methylhepta-2,3-diene
CID 11403261
1-Chloro-4-diethoxyphosphorylocta-2,3-diene
CID 11403262
(4Z)-1-chloro-4-(diethoxyphosphorylmethylidene)hexane
CID 11482578
1-Chloro-4-(diethoxyphosphorylmethylidene)hexane
CID 11712855
1-Chloro-4-diethoxyphosphoryl-2-methylocta-2,3-diene
CID 12007355
1-Chloro-4-dimethoxyphosphoryl-2,5,5-trimethylhexa-2,3-diene
CID 13528534
1-Chloro-5-diethoxyphosphoryl-3-methylpenta-1,2-diene
CID 101788634

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-diethoxyphosphoryl-2-methylnona-2,3-diene?
The IUPAC name of 1-chloro-4-diethoxyphosphoryl-2-methylnona-2,3-diene (CID 12007356) is 1-chloro-4-diethoxyphosphoryl-2-methylnona-2,3-diene.
What is the SMILES notation for 1-chloro-4-diethoxyphosphoryl-2-methylnona-2,3-diene?
The canonical SMILES for 1-chloro-4-diethoxyphosphoryl-2-methylnona-2,3-diene is CCCCCC(=C=C(C)CCl)P(=O)(OCC)OCC.
What is the InChIKey of 1-chloro-4-diethoxyphosphoryl-2-methylnona-2,3-diene?
The InChIKey is ZWGGICOPWWJGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClO3P/c1-5-8-9-10-14(11-13(4)12-15)19(16,17-6-2)18-7-3/h5-10,12H2,1-4H3.
What are the key properties of 1-chloro-4-diethoxyphosphoryl-2-methylnona-2,3-diene?
1-chloro-4-diethoxyphosphoryl-2-methylnona-2,3-diene has a molecular weight of 308.79 g/mol, XLogP of 5.50, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-diethoxyphosphoryl-2-methylnona-2,3-diene is sourced from PubChem (CID 12007356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).