(E)-1-diethoxyphosphoryl-4-methylpent-1-ene

C10H21O3P — CID 13291223

IUPAC(E)-1-diethoxyphosphoryl-4-methylpent-1-ene
SMILESCCOP(=O)(/C=C/CC(C)C)OCC
InChIInChI=1S/C10H21O3P/c1-5-12-14(11,13-6-2)9-7-8-10(3)4/h7,9-10H,5-6,8H2,1-4H3/b9-7+
InChIKeyIKFOJHMODBWNBG-VQHVLOKHSA-N
MW220.25 g/mol
LogP3.81
Rot. Bonds7

About (E)-1-diethoxyphosphoryl-4-methylpent-1-ene

(E)-1-diethoxyphosphoryl-4-methylpent-1-ene (PubChem CID 13291223) has the molecular formula C10H21O3P and a molecular weight of 220.25 g/mol. Its IUPAC name is (E)-1-diethoxyphosphoryl-4-methylpent-1-ene.

Molecular Properties

Compound Name(E)-1-diethoxyphosphoryl-4-methylpent-1-ene
PubChem CID13291223
Molecular FormulaC10H21O3P
Molecular Weight220.25 g/mol
Exact Mass220.12
IUPAC Name(E)-1-diethoxyphosphoryl-4-methylpent-1-ene
SMILESCCOP(=O)(/C=C/CC(C)C)OCC
InChIInChI=1S/C10H21O3P/c1-5-12-14(11,13-6-2)9-7-8-10(3)4/h7,9-10H,5-6,8H2,1-4H3/b9-7+
InChIKeyIKFOJHMODBWNBG-VQHVLOKHSA-N
XLogP3.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 53.81
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
(E)-1-diethoxyphosphoryloct-1-ene
CID 11032225
diethyl (E)-(3,3-dimethylbut-1-en-1-yl)phosphonate
CID 11790710
(4-Pentenyl)phosphonic acid diethyl ester
CID 13462469
(E)-1-diethoxyphosphoryl-3-fluorohex-1-ene
CID 11322355
(Z)-1-diethoxyphosphorylhex-1-ene
CID 11063957
5-Diethoxyphosphoryl-5-methylselanylpent-1-ene
CID 15254223
5-Diethoxyphosphorylhex-1-ene
CID 85795847
6-Diethoxyphosphorylhept-1-ene
CID 85795853
6-Diethoxyphosphorylhex-1-ene
CID 10466042
Phosphonic acid, 7-octenyl-, diethyl ester
CID 10682001
(E)-1-diethoxyphosphorylhept-1-ene
CID 10879051

Frequently Asked Questions

What is the IUPAC name of (E)-1-diethoxyphosphoryl-4-methylpent-1-ene?
The IUPAC name of (E)-1-diethoxyphosphoryl-4-methylpent-1-ene (CID 13291223) is (E)-1-diethoxyphosphoryl-4-methylpent-1-ene.
What is the SMILES notation for (E)-1-diethoxyphosphoryl-4-methylpent-1-ene?
The canonical SMILES for (E)-1-diethoxyphosphoryl-4-methylpent-1-ene is CCOP(=O)(/C=C/CC(C)C)OCC.
What is the InChIKey of (E)-1-diethoxyphosphoryl-4-methylpent-1-ene?
The InChIKey is IKFOJHMODBWNBG-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H21O3P/c1-5-12-14(11,13-6-2)9-7-8-10(3)4/h7,9-10H,5-6,8H2,1-4H3/b9-7+.
What are the key properties of (E)-1-diethoxyphosphoryl-4-methylpent-1-ene?
(E)-1-diethoxyphosphoryl-4-methylpent-1-ene has a molecular weight of 220.25 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-diethoxyphosphoryl-4-methylpent-1-ene is sourced from PubChem (CID 13291223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).