ethane;[(3Z)-3-ethenylhexa-3,5-dienoxy]-ethoxy-methylphosphane

C13H25O2P — CID 171063812

IUPACethane;[(3Z)-3-ethenylhexa-3,5-dienoxy]-ethoxy-methylphosphane
SMILESC=C/C=C(\C=C)CCOP(C)OCC.CC
InChIInChI=1S/C11H19O2P.C2H6/c1-5-8-11(6-2)9-10-13-14(4)12-7-3;1-2/h5-6,8H,1-2,7,9-10H2,3-4H3;1-2H3/b11-8+;
InChIKeyGDKNGAZXMRUVFQ-YGCVIUNWSA-N
MW244.31 g/mol
LogP4.70
Rot. Bonds8

About ethane;[(3Z)-3-ethenylhexa-3,5-dienoxy]-ethoxy-methylphosphane

ethane;[(3Z)-3-ethenylhexa-3,5-dienoxy]-ethoxy-methylphosphane (PubChem CID 171063812) has the molecular formula C13H25O2P and a molecular weight of 244.31 g/mol. Its IUPAC name is ethane;[(3Z)-3-ethenylhexa-3,5-dienoxy]-ethoxy-methylphosphane.

Molecular Properties

Compound Nameethane;[(3Z)-3-ethenylhexa-3,5-dienoxy]-ethoxy-methylphosphane
PubChem CID171063812
Molecular FormulaC13H25O2P
Molecular Weight244.31 g/mol
Exact Mass244.16
IUPAC Nameethane;[(3Z)-3-ethenylhexa-3,5-dienoxy]-ethoxy-methylphosphane
SMILESC=C/C=C(\C=C)CCOP(C)OCC.CC
InChIInChI=1S/C11H19O2P.C2H6/c1-5-8-11(6-2)9-10-13-14(4)12-7-3;1-2/h5-6,8H,1-2,7,9-10H2,3-4H3;1-2H3/b11-8+;
InChIKeyGDKNGAZXMRUVFQ-YGCVIUNWSA-N
XLogP4.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;[(3Z)-3-ethenylhexa-3,5-dienoxy]-ethoxy-methylphosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2E,4E)-4-Methyl-2,4-hexadienyl]phosphonic acid diethyl ester
CID 10966369
(1E,3E)-1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene
CID 11266150
(3E)-3-diethoxyphosphoryl-4-methylhexa-1,3-diene
CID 134988838
Diethyl (4,8-dimethylnona-1,3,7-trien-1-yl)phosphonate
CID 71350134
1-Diethoxyphosphoryl-4-methylhexa-2,4-diene
CID 85349066
[(3E,5Z)-2,4-dimethylocta-3,5-dienoxy]-trihydroxyphosphanium
CID 88888127
diethoxy-[(4E,6E)-3,7,11-trimethyldodeca-1,2,4,6,10-pentaenyl]phosphane
CID 89284124
(1E,3E)-1-diethoxyphosphoryl-3-ethylpenta-1,3-diene
CID 139664435
5-Diethoxyphosphoryl-2,5-dimethylcyclohexa-1,3-diene
CID 141154925
Butoxy-[6-[butoxy(oxido)phosphaniumylidene]cyclohexa-2,4-dien-1-ylidene]-oxidophosphanium
CID 141740847
[(2Z,4E,6E)-8,8-dimethylnona-2,4,6-trien-5-yl]-ethoxyphosphinous acid
CID 143275100
butoxy-[(E)-4-ethenylhept-4-enoxy]-(3-methylidenepent-4-enyl)phosphane
CID 146246115

Frequently Asked Questions

What is the IUPAC name of ethane;[(3Z)-3-ethenylhexa-3,5-dienoxy]-ethoxy-methylphosphane?
The IUPAC name of ethane;[(3Z)-3-ethenylhexa-3,5-dienoxy]-ethoxy-methylphosphane (CID 171063812) is ethane;[(3Z)-3-ethenylhexa-3,5-dienoxy]-ethoxy-methylphosphane.
What is the SMILES notation for ethane;[(3Z)-3-ethenylhexa-3,5-dienoxy]-ethoxy-methylphosphane?
The canonical SMILES for ethane;[(3Z)-3-ethenylhexa-3,5-dienoxy]-ethoxy-methylphosphane is C=C/C=C(\C=C)CCOP(C)OCC.CC.
What is the InChIKey of ethane;[(3Z)-3-ethenylhexa-3,5-dienoxy]-ethoxy-methylphosphane?
The InChIKey is GDKNGAZXMRUVFQ-YGCVIUNWSA-N. The full InChI is InChI=1S/C11H19O2P.C2H6/c1-5-8-11(6-2)9-10-13-14(4)12-7-3;1-2/h5-6,8H,1-2,7,9-10H2,3-4H3;1-2H3/b11-8+;.
What are the key properties of ethane;[(3Z)-3-ethenylhexa-3,5-dienoxy]-ethoxy-methylphosphane?
ethane;[(3Z)-3-ethenylhexa-3,5-dienoxy]-ethoxy-methylphosphane has a molecular weight of 244.31 g/mol, XLogP of 4.70, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(3Z)-3-ethenylhexa-3,5-dienoxy]-ethoxy-methylphosphane is sourced from PubChem (CID 171063812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).