ethane;[(3E)-hexa-1,3,5-trien-3-yl]-phenylphosphane

C14H19P — CID 163386323

IUPACethane;[(3E)-hexa-1,3,5-trien-3-yl]-phenylphosphane
SMILESC=C/C=C(\C=C)Pc1ccccc1.CC
InChIInChI=1S/C12H13P.C2H6/c1-3-8-11(4-2)13-12-9-6-5-7-10-12;1-2/h3-10,13H,1-2H2;1-2H3/b11-8+;
InChIKeyLXJXBHXLOSQTFT-YGCVIUNWSA-N
MW218.28 g/mol
LogP4.27
Rot. Bonds4

About ethane;[(3E)-hexa-1,3,5-trien-3-yl]-phenylphosphane

ethane;[(3E)-hexa-1,3,5-trien-3-yl]-phenylphosphane (PubChem CID 163386323) has the molecular formula C14H19P and a molecular weight of 218.28 g/mol. Its IUPAC name is ethane;[(3E)-hexa-1,3,5-trien-3-yl]-phenylphosphane.

Molecular Properties

Compound Nameethane;[(3E)-hexa-1,3,5-trien-3-yl]-phenylphosphane
PubChem CID163386323
Molecular FormulaC14H19P
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Nameethane;[(3E)-hexa-1,3,5-trien-3-yl]-phenylphosphane
SMILESC=C/C=C(\C=C)Pc1ccccc1.CC
InChIInChI=1S/C12H13P.C2H6/c1-3-8-11(4-2)13-12-9-6-5-7-10-12;1-2/h3-10,13H,1-2H2;1-2H3/b11-8+;
InChIKeyLXJXBHXLOSQTFT-YGCVIUNWSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(3E,5Z)-hepta-1,3,5-trien-4-yl]-(4-phenylphenyl)phosphane
CID 145229203
ethane;[(3E)-hexa-1,3,5-trien-3-yl]benzene;molecular hydrogen
CID 142347036
ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene
CID 142233164
ethane;N-[(3E)-hexa-1,3,5-trien-3-yl]-N-methylaniline
CID 144531022
ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene;propane
CID 143940150
ethane;[(3E)-3-ethenylhexa-3,5-dien-2-yl]benzene;methane
CID 177324817
ethane;[(3E)-hexa-1,3,5-trien-3-yl]sulfanylbenzene;methanamine
CID 142464994
[(1E,3Z)-3-methylhexa-1,3,5-trienyl]benzene
CID 165151781
ethane;ethylbenzene;(3Z)-3-ethylhexa-1,3,5-triene
CID 171543969
bis[(3E)-hexa-1,3,5-trien-3-yl]-methyl-phenyl-λ4-sulfane
CID 142310236
benzene;[(3E)-hexa-1,3,5-trien-3-yl]sulfanylbenzene;methanol
CID 145144491
azane;ethane;[(3E)-hexa-1,3,5-trien-3-yl]-imino-diphenyl-λ5-phosphane;methane
CID 144722951

Frequently Asked Questions

What is the IUPAC name of ethane;[(3E)-hexa-1,3,5-trien-3-yl]-phenylphosphane?
The IUPAC name of ethane;[(3E)-hexa-1,3,5-trien-3-yl]-phenylphosphane (CID 163386323) is ethane;[(3E)-hexa-1,3,5-trien-3-yl]-phenylphosphane.
What is the SMILES notation for ethane;[(3E)-hexa-1,3,5-trien-3-yl]-phenylphosphane?
The canonical SMILES for ethane;[(3E)-hexa-1,3,5-trien-3-yl]-phenylphosphane is C=C/C=C(\C=C)Pc1ccccc1.CC.
What is the InChIKey of ethane;[(3E)-hexa-1,3,5-trien-3-yl]-phenylphosphane?
The InChIKey is LXJXBHXLOSQTFT-YGCVIUNWSA-N. The full InChI is InChI=1S/C12H13P.C2H6/c1-3-8-11(4-2)13-12-9-6-5-7-10-12;1-2/h3-10,13H,1-2H2;1-2H3/b11-8+;.
What are the key properties of ethane;[(3E)-hexa-1,3,5-trien-3-yl]-phenylphosphane?
ethane;[(3E)-hexa-1,3,5-trien-3-yl]-phenylphosphane has a molecular weight of 218.28 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(3E)-hexa-1,3,5-trien-3-yl]-phenylphosphane is sourced from PubChem (CID 163386323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).