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

C14H24O — CID 143462641

IUPAC(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
InChIInChI=1S/C14H24O/c1-6-9-11-14(10-7-2)15-13(5)12(4)8-3/h6-7,9-13H,8H2,1-5H3/b9-6-,10-7-,14-11+
InChIKeySWFIUZQKACOPNL-QASJPRHKSA-N
MW208.34 g/mol
LogP4.47
Rot. Bonds6

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

(2Z,4E,6Z)-4-(3-methylpentan-2-yloxy)octa-2,4,6-triene (PubChem CID 143462641) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (2Z,4E,6Z)-4-(3-methylpentan-2-yloxy)octa-2,4,6-triene.

Molecular Properties

Compound Name(2Z,4E,6Z)-4-(3-methylpentan-2-yloxy)octa-2,4,6-triene
PubChem CID143462641
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(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
InChIInChI=1S/C14H24O/c1-6-9-11-14(10-7-2)15-13(5)12(4)8-3/h6-7,9-13H,8H2,1-5H3/b9-6-,10-7-,14-11+
InChIKeySWFIUZQKACOPNL-QASJPRHKSA-N
XLogP4.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.47
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

ethane;(2Z,4E,6Z)-4-(3-methylpentan-2-yloxy)octa-2,4,6-triene
CID 143462640
3-methylpentan-2-yl but-2-enoate
CID 86762558
ethane;(3E,5Z)-3-propan-2-yloxyhepta-1,3,5-triene
CID 143474027
[(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
(2S,3S)-2-(hexa-2,4-dienoylamino)-3-methylpentanoic acid
CID 61132393
5-ethyl-7-methylnona-2,4-diene
CID 123846326
1-methyl-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]oxybenzene
CID 143659600
1,1,1-trihydroxybutan-2-yl (2E,4E)-hexa-2,4-dienoate
CID 156705703
methane;(2Z,4E,7E,8Z)-6-methyl-5-[(Z)-prop-1-enyl]-7-prop-2-enylideneundeca-2,4,8-triene
CID 143782446
ethane;2-methylbutane;(4E)-2-methylhexa-2,4-diene;2-methylpropane;prop-1-ene
CID 153392422

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6Z)-4-(3-methylpentan-2-yloxy)octa-2,4,6-triene?
The IUPAC name of (2Z,4E,6Z)-4-(3-methylpentan-2-yloxy)octa-2,4,6-triene (CID 143462641) is (2Z,4E,6Z)-4-(3-methylpentan-2-yloxy)octa-2,4,6-triene.
What is the SMILES notation for (2Z,4E,6Z)-4-(3-methylpentan-2-yloxy)octa-2,4,6-triene?
The canonical SMILES for (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.
What is the InChIKey of (2Z,4E,6Z)-4-(3-methylpentan-2-yloxy)octa-2,4,6-triene?
The InChIKey is SWFIUZQKACOPNL-QASJPRHKSA-N. The full InChI is InChI=1S/C14H24O/c1-6-9-11-14(10-7-2)15-13(5)12(4)8-3/h6-7,9-13H,8H2,1-5H3/b9-6-,10-7-,14-11+.
What are the key properties of (2Z,4E,6Z)-4-(3-methylpentan-2-yloxy)octa-2,4,6-triene?
(2Z,4E,6Z)-4-(3-methylpentan-2-yloxy)octa-2,4,6-triene has a molecular weight of 208.34 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6Z)-4-(3-methylpentan-2-yloxy)octa-2,4,6-triene is sourced from PubChem (CID 143462641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).