(Z)-3-diethoxyphosphorylhept-2-ene

C11H23O3P — CID 101401796

IUPAC(Z)-3-diethoxyphosphorylhept-2-ene
SMILESC/C=C(/CCCC)P(=O)(OCC)OCC
InChIInChI=1S/C11H23O3P/c1-5-9-10-11(6-2)15(12,13-7-3)14-8-4/h6H,5,7-10H2,1-4H3/b11-6-
InChIKeyPMSFOSBMEMKHEQ-WDZFZDKYSA-N
MW234.28 g/mol
LogP4.35
Rot. Bonds8

About (Z)-3-diethoxyphosphorylhept-2-ene

(Z)-3-diethoxyphosphorylhept-2-ene (PubChem CID 101401796) has the molecular formula C11H23O3P and a molecular weight of 234.28 g/mol. Its IUPAC name is (Z)-3-diethoxyphosphorylhept-2-ene.

Molecular Properties

Compound Name(Z)-3-diethoxyphosphorylhept-2-ene
PubChem CID101401796
Molecular FormulaC11H23O3P
Molecular Weight234.28 g/mol
Exact Mass234.14
IUPAC Name(Z)-3-diethoxyphosphorylhept-2-ene
SMILESC/C=C(/CCCC)P(=O)(OCC)OCC
InChIInChI=1S/C11H23O3P/c1-5-9-10-11(6-2)15(12,13-7-3)14-8-4/h6H,5,7-10H2,1-4H3/b11-6-
InChIKeyPMSFOSBMEMKHEQ-WDZFZDKYSA-N
XLogP4.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 54.35
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

(Z)-1-chloro-1-diethoxyphosphorylprop-1-ene
CID 10798622
(3Z)-3-[diethoxyphosphoryl(iodo)methylidene]hept-1-ene
CID 11474216
1-diethoxyphosphoryl-N-methoxypentan-1-imine
CID 131851037
5-(diethoxyphosphorylmethylidene)nonane
CID 10660090
N-(1-diethoxyphosphorylhexylidene)hydroxylamine
CID 86741358
2-diethoxyphosphorylhex-1-enylidenecyclohexane
CID 25215350
(Z)-1,2-dichloro-1-diethoxyphosphorylethene
CID 12525125
2-diethoxyphosphorylpent-1-ene
CID 11844671
bis(diethoxyphosphoryl)methanimine
CID 87803281
1-chloro-1-diethoxyphosphorylethene
CID 11481045
N-(2-diethoxyphosphorylethyl)pentanamide
CID 150373666
(E)-1-diethoxyphosphoryl-2-methylhept-1-ene
CID 10753066

Frequently Asked Questions

What is the IUPAC name of (Z)-3-diethoxyphosphorylhept-2-ene?
The IUPAC name of (Z)-3-diethoxyphosphorylhept-2-ene (CID 101401796) is (Z)-3-diethoxyphosphorylhept-2-ene.
What is the SMILES notation for (Z)-3-diethoxyphosphorylhept-2-ene?
The canonical SMILES for (Z)-3-diethoxyphosphorylhept-2-ene is C/C=C(/CCCC)P(=O)(OCC)OCC.
What is the InChIKey of (Z)-3-diethoxyphosphorylhept-2-ene?
The InChIKey is PMSFOSBMEMKHEQ-WDZFZDKYSA-N. The full InChI is InChI=1S/C11H23O3P/c1-5-9-10-11(6-2)15(12,13-7-3)14-8-4/h6H,5,7-10H2,1-4H3/b11-6-.
What are the key properties of (Z)-3-diethoxyphosphorylhept-2-ene?
(Z)-3-diethoxyphosphorylhept-2-ene has a molecular weight of 234.28 g/mol, XLogP of 4.35, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-diethoxyphosphorylhept-2-ene is sourced from PubChem (CID 101401796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).