[(2Z,4Z)-3-[(Z)-1-ethynyl-2-methylbut-2-enyl]hepta-2,4,6-trien-2-yl]phosphane

C14H19P — CID 167280878

IUPAC[(2Z,4Z)-3-[(Z)-1-ethynyl-2-methylbut-2-enyl]hepta-2,4,6-trien-2-yl]phosphane
SMILESC#CC(/C(C)=C\C)C(/C=C\C=C)=C(/C)P
InChIInChI=1S/C14H19P/c1-6-9-10-14(12(5)15)13(8-3)11(4)7-2/h3,6-7,9-10,13H,1,15H2,2,4-5H3/b10-9-,11-7-,14-12-
InChIKeyAOEDAZKLOVHGBV-XXBXLLASSA-N
MW218.28 g/mol
LogP4.09
Rot. Bonds4

About [(2Z,4Z)-3-[(Z)-1-ethynyl-2-methylbut-2-enyl]hepta-2,4,6-trien-2-yl]phosphane

[(2Z,4Z)-3-[(Z)-1-ethynyl-2-methylbut-2-enyl]hepta-2,4,6-trien-2-yl]phosphane (PubChem CID 167280878) has the molecular formula C14H19P and a molecular weight of 218.28 g/mol. Its IUPAC name is [(2Z,4Z)-3-[(Z)-1-ethynyl-2-methylbut-2-enyl]hepta-2,4,6-trien-2-yl]phosphane.

Molecular Properties

Compound Name[(2Z,4Z)-3-[(Z)-1-ethynyl-2-methylbut-2-enyl]hepta-2,4,6-trien-2-yl]phosphane
PubChem CID167280878
Molecular FormulaC14H19P
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name[(2Z,4Z)-3-[(Z)-1-ethynyl-2-methylbut-2-enyl]hepta-2,4,6-trien-2-yl]phosphane
SMILESC#CC(/C(C)=C\C)C(/C=C\C=C)=C(/C)P
InChIInChI=1S/C14H19P/c1-6-9-10-14(12(5)15)13(8-3)11(4)7-2/h3,6-7,9-10,13H,1,15H2,2,4-5H3/b10-9-,11-7-,14-12-
InChIKeyAOEDAZKLOVHGBV-XXBXLLASSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(2Z,4Z)-3-[(Z)-1-ethynyl-2-methylbut-2-enyl]hepta-2,4,6-trien-2-yl]phosphane with MolForge

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Related Compounds

(2Z,4Z)-2-phosphanylhepta-2,4,6-trien-3-amine
CID 139493202
ethane;(3Z,5E)-5-ethynylhepta-1,3,5-triene
CID 143837264
4-methylhex-4-en-1-yn-3-ol
CID 54537632
6-bromo-5-methylidenehepta-1,3-diene
CID 123730228
[(2E,4Z)-3-propan-2-ylhepta-2,4,6-trien-2-yl] hypoiodite
CID 137490290
(3Z,5Z)-5-methylhepta-1,3,5-triene;propane
CID 142516353
(3Z,5E,6E)-5-ethylidene-6-methylocta-1,3,6-triene
CID 155717462
(3Z,5Z,7Z)-6-propan-2-yl-5-prop-1-en-2-ylnona-1,3,5,7-tetraene
CID 145184393
(3Z,6S)-6-ethenyl-5-propan-2-ylidenenona-1,3,8-triene
CID 145452305
(3Z)-6,6-dimethyl-5-methylideneocta-1,3-dien-7-yne
CID 143798054
(3Z,5Z,6Z)-5-but-3-en-2-ylidene-4-ethenylnona-1,3,6,8-tetraene
CID 174021215
(2E,4E)-3-amino-2-[(E)-pent-2-en-4-yn-2-yl]hepta-2,4,6-trienenitrile
CID 143427931

Frequently Asked Questions

What is the IUPAC name of [(2Z,4Z)-3-[(Z)-1-ethynyl-2-methylbut-2-enyl]hepta-2,4,6-trien-2-yl]phosphane?
The IUPAC name of [(2Z,4Z)-3-[(Z)-1-ethynyl-2-methylbut-2-enyl]hepta-2,4,6-trien-2-yl]phosphane (CID 167280878) is [(2Z,4Z)-3-[(Z)-1-ethynyl-2-methylbut-2-enyl]hepta-2,4,6-trien-2-yl]phosphane.
What is the SMILES notation for [(2Z,4Z)-3-[(Z)-1-ethynyl-2-methylbut-2-enyl]hepta-2,4,6-trien-2-yl]phosphane?
The canonical SMILES for [(2Z,4Z)-3-[(Z)-1-ethynyl-2-methylbut-2-enyl]hepta-2,4,6-trien-2-yl]phosphane is C#CC(/C(C)=C\C)C(/C=C\C=C)=C(/C)P.
What is the InChIKey of [(2Z,4Z)-3-[(Z)-1-ethynyl-2-methylbut-2-enyl]hepta-2,4,6-trien-2-yl]phosphane?
The InChIKey is AOEDAZKLOVHGBV-XXBXLLASSA-N. The full InChI is InChI=1S/C14H19P/c1-6-9-10-14(12(5)15)13(8-3)11(4)7-2/h3,6-7,9-10,13H,1,15H2,2,4-5H3/b10-9-,11-7-,14-12-.
What are the key properties of [(2Z,4Z)-3-[(Z)-1-ethynyl-2-methylbut-2-enyl]hepta-2,4,6-trien-2-yl]phosphane?
[(2Z,4Z)-3-[(Z)-1-ethynyl-2-methylbut-2-enyl]hepta-2,4,6-trien-2-yl]phosphane has a molecular weight of 218.28 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,4Z)-3-[(Z)-1-ethynyl-2-methylbut-2-enyl]hepta-2,4,6-trien-2-yl]phosphane is sourced from PubChem (CID 167280878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).