ethane;(2Z,4E,6Z)-4-(3-methylpentan-2-yloxy)octa-2,4,6-triene

C16H30O — CID 143462640

IUPACethane;(2Z,4E,6Z)-4-(3-methylpentan-2-yloxy)octa-2,4,6-triene
SMILESC/C=C\C=C(/C=C\C)OC(C)C(C)CC.CC
InChIInChI=1S/C14H24O.C2H6/c1-6-9-11-14(10-7-2)15-13(5)12(4)8-3;1-2/h6-7,9-13H,8H2,1-5H3;1-2H3/b9-6-,10-7-,14-11+;
InChIKeyMQPUUWSUARLVSK-FMHVDRCNSA-N
MW238.41 g/mol
LogP5.50
Rot. Bonds6

About ethane;(2Z,4E,6Z)-4-(3-methylpentan-2-yloxy)octa-2,4,6-triene

ethane;(2Z,4E,6Z)-4-(3-methylpentan-2-yloxy)octa-2,4,6-triene (PubChem CID 143462640) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is ethane;(2Z,4E,6Z)-4-(3-methylpentan-2-yloxy)octa-2,4,6-triene.

Molecular Properties

Compound Nameethane;(2Z,4E,6Z)-4-(3-methylpentan-2-yloxy)octa-2,4,6-triene
PubChem CID143462640
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Nameethane;(2Z,4E,6Z)-4-(3-methylpentan-2-yloxy)octa-2,4,6-triene
SMILESC/C=C\C=C(/C=C\C)OC(C)C(C)CC.CC
InChIInChI=1S/C14H24O.C2H6/c1-6-9-11-14(10-7-2)15-13(5)12(4)8-3;1-2/h6-7,9-13H,8H2,1-5H3;1-2H3/b9-6-,10-7-,14-11+;
InChIKeyMQPUUWSUARLVSK-FMHVDRCNSA-N
XLogP5.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2Z,4E,6Z)-4-(3-methylpentan-2-yloxy)octa-2,4,6-triene
CID 143462641
3-methylpentan-2-yl but-2-enoate
CID 86762558
ethane;(3E,5Z)-3-propan-2-yloxyhepta-1,3,5-triene
CID 143474027
ethane;2-methylbutane;(4E)-2-methylhexa-2,4-diene;2-methylpropane;prop-1-ene
CID 153392422
[(2Z,4E)-6,7-dimethylnona-2,4-dien-5-yl] cyanate
CID 139442716
(E)-N-[(2R)-butan-2-yl]but-2-enamide
CID 55299648
(2Z,4E,6Z)-4-(1-ethylsulfanyl-3,3-dimethylbutan-2-yl)octa-2,4,6-triene
CID 167166920
ethane;[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxy-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-methylborane
CID 142048530
(2S,3S)-2-(hexa-2,4-dienoylamino)-3-methylpentanoic acid
CID 61132393
ethane;(2Z,4E)-5-(2-methoxyethyl)octa-2,4-diene;2-methylbutane
CID 143380177
5-ethyl-7-methylnona-2,4-diene
CID 123846326
N-tert-butyl-1-iminobutan-2-amine;ethane;(2E,4E,6Z,8E)-5-methoxydeca-2,4,6,8-tetraene
CID 142054922

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z,4E,6Z)-4-(3-methylpentan-2-yloxy)octa-2,4,6-triene?
The IUPAC name of ethane;(2Z,4E,6Z)-4-(3-methylpentan-2-yloxy)octa-2,4,6-triene (CID 143462640) is ethane;(2Z,4E,6Z)-4-(3-methylpentan-2-yloxy)octa-2,4,6-triene.
What is the SMILES notation for ethane;(2Z,4E,6Z)-4-(3-methylpentan-2-yloxy)octa-2,4,6-triene?
The canonical SMILES for ethane;(2Z,4E,6Z)-4-(3-methylpentan-2-yloxy)octa-2,4,6-triene is C/C=C\C=C(/C=C\C)OC(C)C(C)CC.CC.
What is the InChIKey of ethane;(2Z,4E,6Z)-4-(3-methylpentan-2-yloxy)octa-2,4,6-triene?
The InChIKey is MQPUUWSUARLVSK-FMHVDRCNSA-N. The full InChI is InChI=1S/C14H24O.C2H6/c1-6-9-11-14(10-7-2)15-13(5)12(4)8-3;1-2/h6-7,9-13H,8H2,1-5H3;1-2H3/b9-6-,10-7-,14-11+;.
What are the key properties of ethane;(2Z,4E,6Z)-4-(3-methylpentan-2-yloxy)octa-2,4,6-triene?
ethane;(2Z,4E,6Z)-4-(3-methylpentan-2-yloxy)octa-2,4,6-triene has a molecular weight of 238.41 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z,4E,6Z)-4-(3-methylpentan-2-yloxy)octa-2,4,6-triene is sourced from PubChem (CID 143462640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).