(1Z,3E)-2-chloro-1-diethoxyphosphoryl-3-ethylpenta-1,3-diene

C11H20ClO3P — CID 12644830

IUPAC(1Z,3E)-2-chloro-1-diethoxyphosphoryl-3-ethylpenta-1,3-diene
SMILESC/C=C(CC)/C(Cl)=C/P(=O)(OCC)OCC
InChIInChI=1S/C11H20ClO3P/c1-5-10(6-2)11(12)9-16(13,14-7-3)15-8-4/h5,9H,6-8H2,1-4H3/b10-5+,11-9-
InChIKeyKBMZHDQCMDIXNW-NVQVXASISA-N
MW266.70 g/mol
LogP4.69
Rot. Bonds7

About (1Z,3E)-2-chloro-1-diethoxyphosphoryl-3-ethylpenta-1,3-diene

(1Z,3E)-2-chloro-1-diethoxyphosphoryl-3-ethylpenta-1,3-diene (PubChem CID 12644830) has the molecular formula C11H20ClO3P and a molecular weight of 266.70 g/mol. Its IUPAC name is (1Z,3E)-2-chloro-1-diethoxyphosphoryl-3-ethylpenta-1,3-diene.

Molecular Properties

Compound Name(1Z,3E)-2-chloro-1-diethoxyphosphoryl-3-ethylpenta-1,3-diene
PubChem CID12644830
Molecular FormulaC11H20ClO3P
Molecular Weight266.70 g/mol
Exact Mass266.08
IUPAC Name(1Z,3E)-2-chloro-1-diethoxyphosphoryl-3-ethylpenta-1,3-diene
SMILESC/C=C(CC)/C(Cl)=C/P(=O)(OCC)OCC
InChIInChI=1S/C11H20ClO3P/c1-5-10(6-2)11(12)9-16(13,14-7-3)15-8-4/h5,9H,6-8H2,1-4H3/b10-5+,11-9-
InChIKeyKBMZHDQCMDIXNW-NVQVXASISA-N
XLogP4.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 54.69
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

4-chloro-1-ethoxy-3,5-dimethyl-2H-1lambda5-phosphinine 1-oxide
CID 372643
4-chloro-3,5-dimethyl-1-propoxy-2H-1lambda5-phosphinine 1-oxide
CID 372644
4-chloro-3,5-dimethyl-1-propan-2-yloxy-2H-1lambda5-phosphinine 1-oxide
CID 374235
(1E,3E)-1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene
CID 11266150
(Z,4Z)-1-chloro-4-(diethoxyphosphorylmethylidene)-1,1,2-trifluorohex-2-ene
CID 102396372
(E,6E)-1-chloro-6-(diethoxyphosphorylmethylidene)undec-4-ene
CID 11209910
Diethyl (4,8-dimethylnona-1,3,7-trien-1-yl)phosphonate
CID 71350134
(1E,3E)-1-diethoxyphosphoryl-3-ethylpenta-1,3-diene
CID 139664435
(4-Chlorocyclohexa-1,3-dien-1-yl)methyl-diethoxyphosphane
CID 144582180
(4Z)-4-diethoxyphosphoryl-2-methylocta-2,4-diene
CID 10491580
(3Z)-1-chloro-3-(diethoxyphosphorylmethylidene)cyclohexene
CID 10515790
(3E)-1-chloro-3-(diethoxyphosphorylmethylidene)cyclohexene
CID 10659311

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-2-chloro-1-diethoxyphosphoryl-3-ethylpenta-1,3-diene?
The IUPAC name of (1Z,3E)-2-chloro-1-diethoxyphosphoryl-3-ethylpenta-1,3-diene (CID 12644830) is (1Z,3E)-2-chloro-1-diethoxyphosphoryl-3-ethylpenta-1,3-diene.
What is the SMILES notation for (1Z,3E)-2-chloro-1-diethoxyphosphoryl-3-ethylpenta-1,3-diene?
The canonical SMILES for (1Z,3E)-2-chloro-1-diethoxyphosphoryl-3-ethylpenta-1,3-diene is C/C=C(CC)/C(Cl)=C/P(=O)(OCC)OCC.
What is the InChIKey of (1Z,3E)-2-chloro-1-diethoxyphosphoryl-3-ethylpenta-1,3-diene?
The InChIKey is KBMZHDQCMDIXNW-NVQVXASISA-N. The full InChI is InChI=1S/C11H20ClO3P/c1-5-10(6-2)11(12)9-16(13,14-7-3)15-8-4/h5,9H,6-8H2,1-4H3/b10-5+,11-9-.
What are the key properties of (1Z,3E)-2-chloro-1-diethoxyphosphoryl-3-ethylpenta-1,3-diene?
(1Z,3E)-2-chloro-1-diethoxyphosphoryl-3-ethylpenta-1,3-diene has a molecular weight of 266.70 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-2-chloro-1-diethoxyphosphoryl-3-ethylpenta-1,3-diene is sourced from PubChem (CID 12644830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).