(Z)-1-diethoxyphosphorylhex-3-ene

C10H21O3P — CID 134980857

IUPAC(Z)-1-diethoxyphosphorylhex-3-ene
SMILESCC/C=C\CCP(=O)(OCC)OCC
InChIInChI=1S/C10H21O3P/c1-4-7-8-9-10-14(11,12-5-2)13-6-3/h7-8H,4-6,9-10H2,1-3H3/b8-7-
InChIKeyBWYHFZHDBHOGDS-FPLPWBNLSA-N
MW220.25 g/mol
LogP3.61
Rot. Bonds8

About (Z)-1-diethoxyphosphorylhex-3-ene

(Z)-1-diethoxyphosphorylhex-3-ene (PubChem CID 134980857) has the molecular formula C10H21O3P and a molecular weight of 220.25 g/mol. Its IUPAC name is (Z)-1-diethoxyphosphorylhex-3-ene.

Molecular Properties

Compound Name(Z)-1-diethoxyphosphorylhex-3-ene
PubChem CID134980857
Molecular FormulaC10H21O3P
Molecular Weight220.25 g/mol
Exact Mass220.12
IUPAC Name(Z)-1-diethoxyphosphorylhex-3-ene
SMILESCC/C=C\CCP(=O)(OCC)OCC
InChIInChI=1S/C10H21O3P/c1-4-7-8-9-10-14(11,12-5-2)13-6-3/h7-8H,4-6,9-10H2,1-3H3/b8-7-
InChIKeyBWYHFZHDBHOGDS-FPLPWBNLSA-N
XLogP3.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diethyl 2-butenylphosphonate, predominantly trans
CID 10943314
Diethyl 3-butenylphosphonate
CID 10997850
3-Phospholene, 1-ethoxy-3-methyl-, 1-oxide
CID 205862
(Z)-1-diethoxyphosphoryl-1-fluorooct-2-ene
CID 100929330
5-[Fluoro(propan-2-yloxy)phosphoryl]pent-2-ene
CID 129695322
[(2E,4E)-4-Methyl-2,4-hexadienyl]phosphonic acid diethyl ester
CID 10966369
(4-Pentenyl)phosphonic acid diethyl ester
CID 13462469
(E)-1-diethoxyphosphoryl-3-fluorobut-1-ene
CID 13635635
(E)-5-diethoxyphosphoryl-5,5-difluoropent-2-ene
CID 14268060
(E)-1-diethoxyphosphoryl-1-fluoronon-2-ene
CID 15449246
(Z)-5-diethoxyphosphoryl-5,5-difluoropent-2-ene
CID 139264136
(E)-1-diethoxyphosphoryloct-2-ene
CID 10444695

Frequently Asked Questions

What is the IUPAC name of (Z)-1-diethoxyphosphorylhex-3-ene?
The IUPAC name of (Z)-1-diethoxyphosphorylhex-3-ene (CID 134980857) is (Z)-1-diethoxyphosphorylhex-3-ene.
What is the SMILES notation for (Z)-1-diethoxyphosphorylhex-3-ene?
The canonical SMILES for (Z)-1-diethoxyphosphorylhex-3-ene is CC/C=C\CCP(=O)(OCC)OCC.
What is the InChIKey of (Z)-1-diethoxyphosphorylhex-3-ene?
The InChIKey is BWYHFZHDBHOGDS-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H21O3P/c1-4-7-8-9-10-14(11,12-5-2)13-6-3/h7-8H,4-6,9-10H2,1-3H3/b8-7-.
What are the key properties of (Z)-1-diethoxyphosphorylhex-3-ene?
(Z)-1-diethoxyphosphorylhex-3-ene has a molecular weight of 220.25 g/mol, XLogP of 3.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-diethoxyphosphorylhex-3-ene is sourced from PubChem (CID 134980857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).