[(E)-6,6-diethoxyhex-4-enyl]phosphane

C10H21O2P — CID 175489777

IUPAC[(E)-6,6-diethoxyhex-4-enyl]phosphane
SMILESCCOC(/C=C/CCCP)OCC
InChIInChI=1S/C10H21O2P/c1-3-11-10(12-4-2)8-6-5-7-9-13/h6,8,10H,3-5,7,9,13H2,1-2H3/b8-6+
InChIKeyACQFSOREFHHPAV-SOFGYWHQSA-N
MW204.25 g/mol
LogP2.60
Rot. Bonds8

About [(E)-6,6-diethoxyhex-4-enyl]phosphane

[(E)-6,6-diethoxyhex-4-enyl]phosphane (PubChem CID 175489777) has the molecular formula C10H21O2P and a molecular weight of 204.25 g/mol. Its IUPAC name is [(E)-6,6-diethoxyhex-4-enyl]phosphane.

Molecular Properties

Compound Name[(E)-6,6-diethoxyhex-4-enyl]phosphane
PubChem CID175489777
Molecular FormulaC10H21O2P
Molecular Weight204.25 g/mol
Exact Mass204.13
IUPAC Name[(E)-6,6-diethoxyhex-4-enyl]phosphane
SMILESCCOC(/C=C/CCCP)OCC
InChIInChI=1S/C10H21O2P/c1-3-11-10(12-4-2)8-6-5-7-9-13/h6,8,10H,3-5,7,9,13H2,1-2H3/b8-6+
InChIKeyACQFSOREFHHPAV-SOFGYWHQSA-N
XLogP2.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(E)-1,1-diethoxydec-2-ene
CID 6437222
1,1-diethoxyundec-2-ene
CID 3018094
1,8,8-triethoxy-1-(1,8,8-triethoxyoct-2-enoxy)oct-2-ene
CID 162350652
(E)-4-bromo-1,1-diethoxybut-2-ene
CID 14179247
1,6,6-triethoxy-1-(1,6,6-triethoxyhex-2-enoxy)hex-2-ene
CID 162350431
(E)-9,9-diethoxy-2-(2-methylpropyl)non-7-enoic acid
CID 175805293
1-ethoxy-1-(1-ethoxy-13,13-dipropoxytridec-2-enoxy)-13,13-dipropoxytridec-2-ene
CID 163287964
1,1-dimethoxynon-2-ene
CID 71435649
1-ethoxy-1-(1-ethoxy-8,8-dihexoxyoct-2-enoxy)-8,8-dihexoxyoct-2-ene
CID 162350665
[(E)-11,11-diethoxyundec-9-enyl] benzoate
CID 11122026
4,4-diethoxybut-2-enylphosphonic acid
CID 74063343
(Z)-6-chloro-1,1-dimethoxyhex-2-ene
CID 146574511

Frequently Asked Questions

What is the IUPAC name of [(E)-6,6-diethoxyhex-4-enyl]phosphane?
The IUPAC name of [(E)-6,6-diethoxyhex-4-enyl]phosphane (CID 175489777) is [(E)-6,6-diethoxyhex-4-enyl]phosphane.
What is the SMILES notation for [(E)-6,6-diethoxyhex-4-enyl]phosphane?
The canonical SMILES for [(E)-6,6-diethoxyhex-4-enyl]phosphane is CCOC(/C=C/CCCP)OCC.
What is the InChIKey of [(E)-6,6-diethoxyhex-4-enyl]phosphane?
The InChIKey is ACQFSOREFHHPAV-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H21O2P/c1-3-11-10(12-4-2)8-6-5-7-9-13/h6,8,10H,3-5,7,9,13H2,1-2H3/b8-6+.
What are the key properties of [(E)-6,6-diethoxyhex-4-enyl]phosphane?
[(E)-6,6-diethoxyhex-4-enyl]phosphane has a molecular weight of 204.25 g/mol, XLogP of 2.60, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-6,6-diethoxyhex-4-enyl]phosphane is sourced from PubChem (CID 175489777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).