methane;(E)-non-5-en-4-one;(Z)-non-6-en-4-one

C20H40O2 — CID 161199069

IUPACmethane;(E)-non-5-en-4-one;(Z)-non-6-en-4-one
SMILESC.C.CC/C=C\CC(=O)CCC.CCC/C=C/C(=O)CCC
InChIInChI=1S/2C9H16O.2CH4/c2*1-3-5-6-8-9(10)7-4-2;;/h6,8H,3-5,7H2,1-2H3;5-6H,3-4,7-8H2,1-2H3;2*1H4/b8-6+;6-5-;;
InChIKeyUUSVKGVVLWCPMC-MLFZBHQFSA-N
MW312.54 g/mol
LogP6.70
Rot. Bonds10

About methane;(E)-non-5-en-4-one;(Z)-non-6-en-4-one

methane;(E)-non-5-en-4-one;(Z)-non-6-en-4-one (PubChem CID 161199069) has the molecular formula C20H40O2 and a molecular weight of 312.54 g/mol. Its IUPAC name is methane;(E)-non-5-en-4-one;(Z)-non-6-en-4-one.

Molecular Properties

Compound Namemethane;(E)-non-5-en-4-one;(Z)-non-6-en-4-one
PubChem CID161199069
Molecular FormulaC20H40O2
Molecular Weight312.54 g/mol
Exact Mass312.30
IUPAC Namemethane;(E)-non-5-en-4-one;(Z)-non-6-en-4-one
SMILESC.C.CC/C=C\CC(=O)CCC.CCC/C=C/C(=O)CCC
InChIInChI=1S/2C9H16O.2CH4/c2*1-3-5-6-8-9(10)7-4-2;;/h6,8H,3-5,7H2,1-2H3;5-6H,3-4,7-8H2,1-2H3;2*1H4/b8-6+;6-5-;;
InChIKeyUUSVKGVVLWCPMC-MLFZBHQFSA-N
XLogP6.70
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-fluorohept-3-en-2-one
CID 71502223
2,2-dimethyldec-6-en-5-one
CID 141426644
trideca-5,8-dien-4-one
CID 172853119
(E)-dec-7-ene-3,6-dione
CID 88902594
(4Z,7E,10E,13E,18E)-17-oxodocosa-4,7,10,13,18-pentaenoic acid
CID 10269046
(4E,7E)-undeca-4,7-dien-6-one
CID 23366329
(E)-hex-2-enoic acid
CID 5282707
(6Z,9Z,12Z,15Z,18Z,21Z)-1-aminotetracosa-6,9,12,15,18,21-hexaen-4-one
CID 157366547
docosakis(hex-2-enoic acid);phosphane
CID 174896095
(E)-1-phenyloct-4-en-3-one
CID 12588926
(6Z,11E,15Z)-10-oxooctadeca-6,11,15-trienoic acid
CID 75203220
1-aminohept-4-en-3-one
CID 141202462

Frequently Asked Questions

What is the IUPAC name of methane;(E)-non-5-en-4-one;(Z)-non-6-en-4-one?
The IUPAC name of methane;(E)-non-5-en-4-one;(Z)-non-6-en-4-one (CID 161199069) is methane;(E)-non-5-en-4-one;(Z)-non-6-en-4-one.
What is the SMILES notation for methane;(E)-non-5-en-4-one;(Z)-non-6-en-4-one?
The canonical SMILES for methane;(E)-non-5-en-4-one;(Z)-non-6-en-4-one is C.C.CC/C=C\CC(=O)CCC.CCC/C=C/C(=O)CCC.
What is the InChIKey of methane;(E)-non-5-en-4-one;(Z)-non-6-en-4-one?
The InChIKey is UUSVKGVVLWCPMC-MLFZBHQFSA-N. The full InChI is InChI=1S/2C9H16O.2CH4/c2*1-3-5-6-8-9(10)7-4-2;;/h6,8H,3-5,7H2,1-2H3;5-6H,3-4,7-8H2,1-2H3;2*1H4/b8-6+;6-5-;;.
What are the key properties of methane;(E)-non-5-en-4-one;(Z)-non-6-en-4-one?
methane;(E)-non-5-en-4-one;(Z)-non-6-en-4-one has a molecular weight of 312.54 g/mol, XLogP of 6.70, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(E)-non-5-en-4-one;(Z)-non-6-en-4-one is sourced from PubChem (CID 161199069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).