(Z)-3-diethoxyphosphorylhex-2-ene

C10H21O3P — CID 101401799

IUPAC(Z)-3-diethoxyphosphorylhex-2-ene
SMILESC/C=C(/CCC)P(=O)(OCC)OCC
InChIInChI=1S/C10H21O3P/c1-5-9-10(6-2)14(11,12-7-3)13-8-4/h6H,5,7-9H2,1-4H3/b10-6-
InChIKeyVVFHFPAYZXATOV-POHAHGRESA-N
MW220.25 g/mol
LogP3.96
Rot. Bonds7

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

(Z)-3-diethoxyphosphorylhex-2-ene (PubChem CID 101401799) has the molecular formula C10H21O3P and a molecular weight of 220.25 g/mol. Its IUPAC name is (Z)-3-diethoxyphosphorylhex-2-ene.

Molecular Properties

Compound Name(Z)-3-diethoxyphosphorylhex-2-ene
PubChem CID101401799
Molecular FormulaC10H21O3P
Molecular Weight220.25 g/mol
Exact Mass220.12
IUPAC Name(Z)-3-diethoxyphosphorylhex-2-ene
SMILESC/C=C(/CCC)P(=O)(OCC)OCC
InChIInChI=1S/C10H21O3P/c1-5-9-10(6-2)14(11,12-7-3)13-8-4/h6H,5,7-9H2,1-4H3/b10-6-
InChIKeyVVFHFPAYZXATOV-POHAHGRESA-N
XLogP3.96
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 ≤ 53.96
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

((E)-1,1-Difluoro-hept-2-enyl)-phosphonic acid diethyl ester
CID 10539959
(Z)-1-diethoxyphosphoryl-1-fluorooct-2-ene
CID 100929330
(4-Pentenyl)phosphonic acid diethyl ester
CID 13462469
(E)-5-diethoxyphosphoryl-5,5-difluoropent-2-ene
CID 14268060
(Z)-5-diethoxyphosphoryl-5,5-difluoropent-2-ene
CID 139264136
(E)-1-diethoxyphosphoryloct-2-ene
CID 10444695
4-Diethoxyphosphorylcyclohexene
CID 85519806
1-Diethoxyphosphorylcyclohexene
CID 10560750
Diethoxyphosphorylcyclopentene
CID 10774533
2-Diethoxyphosphorylbut-1-ene
CID 11844799
(E)-2-diethoxyphosphorylpent-2-ene
CID 13613003
(6E,10E)-13-diethoxyphosphoryl-2,6,10-trimethyltrideca-2,6,10-triene
CID 134870879

Frequently Asked Questions

What is the IUPAC name of (Z)-3-diethoxyphosphorylhex-2-ene?
The IUPAC name of (Z)-3-diethoxyphosphorylhex-2-ene (CID 101401799) is (Z)-3-diethoxyphosphorylhex-2-ene.
What is the SMILES notation for (Z)-3-diethoxyphosphorylhex-2-ene?
The canonical SMILES for (Z)-3-diethoxyphosphorylhex-2-ene is C/C=C(/CCC)P(=O)(OCC)OCC.
What is the InChIKey of (Z)-3-diethoxyphosphorylhex-2-ene?
The InChIKey is VVFHFPAYZXATOV-POHAHGRESA-N. The full InChI is InChI=1S/C10H21O3P/c1-5-9-10(6-2)14(11,12-7-3)13-8-4/h6H,5,7-9H2,1-4H3/b10-6-.
What are the key properties of (Z)-3-diethoxyphosphorylhex-2-ene?
(Z)-3-diethoxyphosphorylhex-2-ene has a molecular weight of 220.25 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-diethoxyphosphorylhex-2-ene is sourced from PubChem (CID 101401799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).