ethane;(5Z,7Z)-4-methylidenenona-5,7-dien-3-one

C14H26O — CID 177053569

IUPACethane;(5Z,7Z)-4-methylidenenona-5,7-dien-3-one
SMILESC=C(/C=C\C=C/C)C(=O)CC.CC.CC
InChIInChI=1S/C10H14O.2C2H6/c1-4-6-7-8-9(3)10(11)5-2;2*1-2/h4,6-8H,3,5H2,1-2H3;2*1-2H3/b6-4-,8-7-;;
InChIKeyNMGSHLLPXLAHCQ-GTWMBCDHSA-N
MW210.36 g/mol
LogP4.71
Rot. Bonds4

About ethane;(5Z,7Z)-4-methylidenenona-5,7-dien-3-one

ethane;(5Z,7Z)-4-methylidenenona-5,7-dien-3-one (PubChem CID 177053569) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is ethane;(5Z,7Z)-4-methylidenenona-5,7-dien-3-one.

Molecular Properties

Compound Nameethane;(5Z,7Z)-4-methylidenenona-5,7-dien-3-one
PubChem CID177053569
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Nameethane;(5Z,7Z)-4-methylidenenona-5,7-dien-3-one
SMILESC=C(/C=C\C=C/C)C(=O)CC.CC.CC
InChIInChI=1S/C10H14O.2C2H6/c1-4-6-7-8-9(3)10(11)5-2;2*1-2/h4,6-8H,3,5H2,1-2H3;2*1-2H3/b6-4-,8-7-;;
InChIKeyNMGSHLLPXLAHCQ-GTWMBCDHSA-N
XLogP4.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;(3Z,5Z)-2-methylidenehepta-3,5-dienoic acid
CID 176938784
ethane;methane;(2Z,4Z)-6-methylideneocta-2,4-diene
CID 143380166
potassium;hexa-2,4-dienoate;propanoic acid
CID 161130297
calcium;ethanol;bis((2E,4E)-hexa-2,4-dienoate)
CID 157318732
(3Z,5Z)-N-methoxy-2-methylidenehepta-3,5-dienamide
CID 170032063
dicalcium;tetrakis((2E,4E)-hexa-2,4-dienoate)
CID 157350399
copper bis((2E,4E)-hexa-2,4-dienoate)
CID 6436412
trisodium;tris((2E,4E)-hexa-2,4-dienoate)
CID 175798878
cadmium(2+);bis(hexa-2,4-dienoate)
CID 159713747
ethane;(2R)-2-(methylamino)-3-[[(3Z,5E)-2-methylidenehepta-3,5-dienoyl]amino]propanoic acid
CID 145216550
(Z)-4-methylidene-6-(pentan-2-ylideneamino)hex-5-en-3-one
CID 168972308
dodeca-2,4-dien-6-one
CID 71412707

Frequently Asked Questions

What is the IUPAC name of ethane;(5Z,7Z)-4-methylidenenona-5,7-dien-3-one?
The IUPAC name of ethane;(5Z,7Z)-4-methylidenenona-5,7-dien-3-one (CID 177053569) is ethane;(5Z,7Z)-4-methylidenenona-5,7-dien-3-one.
What is the SMILES notation for ethane;(5Z,7Z)-4-methylidenenona-5,7-dien-3-one?
The canonical SMILES for ethane;(5Z,7Z)-4-methylidenenona-5,7-dien-3-one is C=C(/C=C\C=C/C)C(=O)CC.CC.CC.
What is the InChIKey of ethane;(5Z,7Z)-4-methylidenenona-5,7-dien-3-one?
The InChIKey is NMGSHLLPXLAHCQ-GTWMBCDHSA-N. The full InChI is InChI=1S/C10H14O.2C2H6/c1-4-6-7-8-9(3)10(11)5-2;2*1-2/h4,6-8H,3,5H2,1-2H3;2*1-2H3/b6-4-,8-7-;;.
What are the key properties of ethane;(5Z,7Z)-4-methylidenenona-5,7-dien-3-one?
ethane;(5Z,7Z)-4-methylidenenona-5,7-dien-3-one has a molecular weight of 210.36 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z,7Z)-4-methylidenenona-5,7-dien-3-one is sourced from PubChem (CID 177053569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).