(E,5E)-5-(diethoxyphosphorylmethylidene)-4-ethyldec-3-ene

C17H33O3P — CID 11186158

IUPAC(E,5E)-5-(diethoxyphosphorylmethylidene)-4-ethyldec-3-ene
SMILESCC/C=C(CC)/C(=C/P(=O)(OCC)OCC)CCCCC
InChIInChI=1S/C17H33O3P/c1-6-11-12-14-17(16(8-3)13-7-2)15-21(18,19-9-4)20-10-5/h13,15H,6-12,14H2,1-5H3/b16-13+,17-15+
InChIKeyMLRUUYJAUNZWNS-NLEMEUKFSA-N
MW316.42 g/mol
LogP6.46
Rot. Bonds12

About (E,5E)-5-(diethoxyphosphorylmethylidene)-4-ethyldec-3-ene

(E,5E)-5-(diethoxyphosphorylmethylidene)-4-ethyldec-3-ene (PubChem CID 11186158) has the molecular formula C17H33O3P and a molecular weight of 316.42 g/mol. Its IUPAC name is (E,5E)-5-(diethoxyphosphorylmethylidene)-4-ethyldec-3-ene.

Molecular Properties

Compound Name(E,5E)-5-(diethoxyphosphorylmethylidene)-4-ethyldec-3-ene
PubChem CID11186158
Molecular FormulaC17H33O3P
Molecular Weight316.42 g/mol
Exact Mass316.22
IUPAC Name(E,5E)-5-(diethoxyphosphorylmethylidene)-4-ethyldec-3-ene
SMILESCC/C=C(CC)/C(=C/P(=O)(OCC)OCC)CCCCC
InChIInChI=1S/C17H33O3P/c1-6-11-12-14-17(16(8-3)13-7-2)15-21(18,19-9-4)20-10-5/h13,15H,6-12,14H2,1-5H3/b16-13+,17-15+
InChIKeyMLRUUYJAUNZWNS-NLEMEUKFSA-N
XLogP6.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.42
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-diethoxyphosphoryl-2-methylhept-1-ene
CID 10753066
5-(diethoxyphosphorylmethylidene)nonane
CID 10660090
(E)-2-diethoxyphosphoryl-1-hexoxyethenol
CID 46944644
(3E,5E)-4,5-diethylocta-3,5-diene
CID 5368963
(Z)-2-butylselanyl-1-diethoxyphosphorylhex-1-ene
CID 11057373
(2E)-2-(diethoxyphosphorylmethylidene)-1-(4-methoxyphenyl)hexan-1-one
CID 10937121
(E)-1-diethoxyphosphoryl-3-methyloct-2-ene
CID 134894980
(E,4E)-4-(diethoxyphosphorylmethylidene)-1-phenyloct-1-en-3-one
CID 11810245
(E)-1,2-bis(diethoxyphosphoryl)prop-1-ene
CID 14294563
N-(1-diethoxyphosphorylhexylidene)hydroxylamine
CID 86741358
heptyl 2-ethylpent-2-enoate
CID 175495324
3-diethoxyphosphoryl-2-methylprop-2-enoic acid
CID 71398288

Frequently Asked Questions

What is the IUPAC name of (E,5E)-5-(diethoxyphosphorylmethylidene)-4-ethyldec-3-ene?
The IUPAC name of (E,5E)-5-(diethoxyphosphorylmethylidene)-4-ethyldec-3-ene (CID 11186158) is (E,5E)-5-(diethoxyphosphorylmethylidene)-4-ethyldec-3-ene.
What is the SMILES notation for (E,5E)-5-(diethoxyphosphorylmethylidene)-4-ethyldec-3-ene?
The canonical SMILES for (E,5E)-5-(diethoxyphosphorylmethylidene)-4-ethyldec-3-ene is CC/C=C(CC)/C(=C/P(=O)(OCC)OCC)CCCCC.
What is the InChIKey of (E,5E)-5-(diethoxyphosphorylmethylidene)-4-ethyldec-3-ene?
The InChIKey is MLRUUYJAUNZWNS-NLEMEUKFSA-N. The full InChI is InChI=1S/C17H33O3P/c1-6-11-12-14-17(16(8-3)13-7-2)15-21(18,19-9-4)20-10-5/h13,15H,6-12,14H2,1-5H3/b16-13+,17-15+.
What are the key properties of (E,5E)-5-(diethoxyphosphorylmethylidene)-4-ethyldec-3-ene?
(E,5E)-5-(diethoxyphosphorylmethylidene)-4-ethyldec-3-ene has a molecular weight of 316.42 g/mol, XLogP of 6.46, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5E)-5-(diethoxyphosphorylmethylidene)-4-ethyldec-3-ene is sourced from PubChem (CID 11186158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).