methane;(3E,5E)-4-[(Z)-prop-1-enyl]-5-prop-2-enylidenenona-1,3,8-triene

C16H24 — CID 142416242

IUPACmethane;(3E,5E)-4-[(Z)-prop-1-enyl]-5-prop-2-enylidenenona-1,3,8-triene
SMILESC.C=C/C=C(\C=C/C)C(=C/C=C)/CCC=C
InChIInChI=1S/C15H20.CH4/c1-5-9-13-15(12-8-4)14(10-6-2)11-7-3;/h5-8,10-12H,1-2,4,9,13H2,3H3;1H4/b11-7-,14-10+,15-12+;
InChIKeyORJUEENXNWCQPJ-HXCAZJKCSA-N
MW216.37 g/mol
LogP5.39
Rot. Bonds7

About methane;(3E,5E)-4-[(Z)-prop-1-enyl]-5-prop-2-enylidenenona-1,3,8-triene

methane;(3E,5E)-4-[(Z)-prop-1-enyl]-5-prop-2-enylidenenona-1,3,8-triene (PubChem CID 142416242) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is methane;(3E,5E)-4-[(Z)-prop-1-enyl]-5-prop-2-enylidenenona-1,3,8-triene.

Molecular Properties

Compound Namemethane;(3E,5E)-4-[(Z)-prop-1-enyl]-5-prop-2-enylidenenona-1,3,8-triene
PubChem CID142416242
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Namemethane;(3E,5E)-4-[(Z)-prop-1-enyl]-5-prop-2-enylidenenona-1,3,8-triene
SMILESC.C=C/C=C(\C=C/C)C(=C/C=C)/CCC=C
InChIInChI=1S/C15H20.CH4/c1-5-9-13-15(12-8-4)14(10-6-2)11-7-3;/h5-8,10-12H,1-2,4,9,13H2,3H3;1H4/b11-7-,14-10+,15-12+;
InChIKeyORJUEENXNWCQPJ-HXCAZJKCSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.37
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-ethenyl-5-ethylideneocta-1,3,6-triene
CID 123583886
(3Z,5E)-4-prop-1-en-2-ylhepta-1,3,5-triene
CID 142147647
ethane;(3E,6E)-4-ethenyl-6-[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-one
CID 142285678
(1E,3E)-2-[[(2E,4Z)-hexa-2,4-dien-3-yl]oxymethyl]-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine
CID 142041463
5-methylhepta-1,5-diene
CID 54049787
(1Z,3Z)-2-methyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine
CID 88576528
(3E,5E,6Z,8E)-5-[(Z)-but-2-enylidene]-4-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraene
CID 145151868
(3E,5E)-4-[(Z)-2-methoxyethenyl]-5-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene
CID 130219587
(3E)-N,N-dimethyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-amine
CID 134569652
(3E,5Z)-4-(hex-5-enoxymethyl)hepta-1,3,5-triene
CID 143973281
(3Z,5Z,6Z)-4-[(Z)-prop-1-enyl]-5-propylidenenona-1,3,6-triene
CID 142312550
(2E)-N-ethyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
CID 129043675

Frequently Asked Questions

What is the IUPAC name of methane;(3E,5E)-4-[(Z)-prop-1-enyl]-5-prop-2-enylidenenona-1,3,8-triene?
The IUPAC name of methane;(3E,5E)-4-[(Z)-prop-1-enyl]-5-prop-2-enylidenenona-1,3,8-triene (CID 142416242) is methane;(3E,5E)-4-[(Z)-prop-1-enyl]-5-prop-2-enylidenenona-1,3,8-triene.
What is the SMILES notation for methane;(3E,5E)-4-[(Z)-prop-1-enyl]-5-prop-2-enylidenenona-1,3,8-triene?
The canonical SMILES for methane;(3E,5E)-4-[(Z)-prop-1-enyl]-5-prop-2-enylidenenona-1,3,8-triene is C.C=C/C=C(\C=C/C)C(=C/C=C)/CCC=C.
What is the InChIKey of methane;(3E,5E)-4-[(Z)-prop-1-enyl]-5-prop-2-enylidenenona-1,3,8-triene?
The InChIKey is ORJUEENXNWCQPJ-HXCAZJKCSA-N. The full InChI is InChI=1S/C15H20.CH4/c1-5-9-13-15(12-8-4)14(10-6-2)11-7-3;/h5-8,10-12H,1-2,4,9,13H2,3H3;1H4/b11-7-,14-10+,15-12+;.
What are the key properties of methane;(3E,5E)-4-[(Z)-prop-1-enyl]-5-prop-2-enylidenenona-1,3,8-triene?
methane;(3E,5E)-4-[(Z)-prop-1-enyl]-5-prop-2-enylidenenona-1,3,8-triene has a molecular weight of 216.37 g/mol, XLogP of 5.39, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(3E,5E)-4-[(Z)-prop-1-enyl]-5-prop-2-enylidenenona-1,3,8-triene is sourced from PubChem (CID 142416242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).