ethane;(3Z,5E)-4-methyl-5-prop-1-en-2-ylocta-1,3,5,7-tetraene

C14H22 — CID 144917186

IUPACethane;(3Z,5E)-4-methyl-5-prop-1-en-2-ylocta-1,3,5,7-tetraene
SMILESC=C/C=C(C)\C(=C\C=C)C(=C)C.CC
InChIInChI=1S/C12H16.C2H6/c1-6-8-11(5)12(9-7-2)10(3)4;1-2/h6-9H,1-3H2,4-5H3;1-2H3/b11-8-,12-9+;
InChIKeyQPOKQOVXYMJJSD-MJZQZBGRSA-N
MW190.33 g/mol
LogP4.83
Rot. Bonds4

About ethane;(3Z,5E)-4-methyl-5-prop-1-en-2-ylocta-1,3,5,7-tetraene

ethane;(3Z,5E)-4-methyl-5-prop-1-en-2-ylocta-1,3,5,7-tetraene (PubChem CID 144917186) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is ethane;(3Z,5E)-4-methyl-5-prop-1-en-2-ylocta-1,3,5,7-tetraene.

Molecular Properties

Compound Nameethane;(3Z,5E)-4-methyl-5-prop-1-en-2-ylocta-1,3,5,7-tetraene
PubChem CID144917186
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Nameethane;(3Z,5E)-4-methyl-5-prop-1-en-2-ylocta-1,3,5,7-tetraene
SMILESC=C/C=C(C)\C(=C\C=C)C(=C)C.CC
InChIInChI=1S/C12H16.C2H6/c1-6-8-11(5)12(9-7-2)10(3)4;1-2/h6-9H,1-3H2,4-5H3;1-2H3/b11-8-,12-9+;
InChIKeyQPOKQOVXYMJJSD-MJZQZBGRSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2E,3Z)-3-methyl-2-prop-2-enylidenehexa-3,5-dienoic acid
CID 143334780
ethane;(3Z)-2-fluoro-3-methylhexa-1,3,5-triene
CID 143773751
ethane;(3E)-2-methylhexa-1,3,5-trien-3-ol
CID 144511153
(3Z,5Z)-4,5-dimethylhepta-1,3,5-triene;ethane;methane
CID 143254400
(3E)-3-chloro-2-methylhexa-1,3,5-triene;ethane
CID 143207837
(3Z)-3-methyl-2-methylsulfanylhexa-1,3,5-triene
CID 177208202
(3E,5E)-4,5-dimethylhepta-1,3,5-triene;ethane;propane
CID 156821319
ethane;(3E)-3-ethenyl-2-methylhexa-1,3,5-triene;2-methylprop-1-ene
CID 142058077
ethane;(2E)-2-prop-1-en-2-ylpenta-2,4-dien-1-ol
CID 144981154
(3E)-3-iodo-2-methylhexa-1,3,5-triene
CID 122592605
ethane;(3E)-N-ethenyl-2-methylhexa-1,3,5-trien-3-amine
CID 143665734
(3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-one
CID 142839788

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z,5E)-4-methyl-5-prop-1-en-2-ylocta-1,3,5,7-tetraene?
The IUPAC name of ethane;(3Z,5E)-4-methyl-5-prop-1-en-2-ylocta-1,3,5,7-tetraene (CID 144917186) is ethane;(3Z,5E)-4-methyl-5-prop-1-en-2-ylocta-1,3,5,7-tetraene.
What is the SMILES notation for ethane;(3Z,5E)-4-methyl-5-prop-1-en-2-ylocta-1,3,5,7-tetraene?
The canonical SMILES for ethane;(3Z,5E)-4-methyl-5-prop-1-en-2-ylocta-1,3,5,7-tetraene is C=C/C=C(C)\C(=C\C=C)C(=C)C.CC.
What is the InChIKey of ethane;(3Z,5E)-4-methyl-5-prop-1-en-2-ylocta-1,3,5,7-tetraene?
The InChIKey is QPOKQOVXYMJJSD-MJZQZBGRSA-N. The full InChI is InChI=1S/C12H16.C2H6/c1-6-8-11(5)12(9-7-2)10(3)4;1-2/h6-9H,1-3H2,4-5H3;1-2H3/b11-8-,12-9+;.
What are the key properties of ethane;(3Z,5E)-4-methyl-5-prop-1-en-2-ylocta-1,3,5,7-tetraene?
ethane;(3Z,5E)-4-methyl-5-prop-1-en-2-ylocta-1,3,5,7-tetraene has a molecular weight of 190.33 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z,5E)-4-methyl-5-prop-1-en-2-ylocta-1,3,5,7-tetraene is sourced from PubChem (CID 144917186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).