ethane;1-[(3Z)-hexa-1,3,5-trien-2-yl]-4-methylbenzene

C15H20 — CID 143170529

IUPACethane;1-[(3Z)-hexa-1,3,5-trien-2-yl]-4-methylbenzene
SMILESC=C/C=C\C(=C)c1ccc(C)cc1.CC
InChIInChI=1S/C13H14.C2H6/c1-4-5-6-12(3)13-9-7-11(2)8-10-13;1-2/h4-10H,1,3H2,2H3;1-2H3/b6-5-;
InChIKeySGHRZFLEEOVKHN-YSMBQZINSA-N
MW200.32 g/mol
LogP4.78
Rot. Bonds3

About ethane;1-[(3Z)-hexa-1,3,5-trien-2-yl]-4-methylbenzene

ethane;1-[(3Z)-hexa-1,3,5-trien-2-yl]-4-methylbenzene (PubChem CID 143170529) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is ethane;1-[(3Z)-hexa-1,3,5-trien-2-yl]-4-methylbenzene.

Molecular Properties

Compound Nameethane;1-[(3Z)-hexa-1,3,5-trien-2-yl]-4-methylbenzene
PubChem CID143170529
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Nameethane;1-[(3Z)-hexa-1,3,5-trien-2-yl]-4-methylbenzene
SMILESC=C/C=C\C(=C)c1ccc(C)cc1.CC
InChIInChI=1S/C13H14.C2H6/c1-4-5-6-12(3)13-9-7-11(2)8-10-13;1-2/h4-10H,1,3H2,2H3;1-2H3/b6-5-;
InChIKeySGHRZFLEEOVKHN-YSMBQZINSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.78
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

ethane;1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylbenzene
CID 143259636
ethane;1-[4-[(3Z)-hexa-1,3,5-trien-2-yl]phenyl]ethanone
CID 142253837
ethane;1-ethyl-4-[(3Z)-hexa-1,3,5-trien-2-yl]benzene
CID 143259588
ethane;(3Z)-2-methylhexa-1,3,5-triene;1,4-xylene
CID 144729160
buta-1,3-diene;1-buta-1,3-dien-2-yl-4-methylbenzene
CID 174224739
(2E,4Z)-3-(4-methylphenyl)hepta-2,4,6-trien-1-ol
CID 143644627
N-[(3Z)-hexa-1,3,5-trien-2-yl]-4-methylaniline
CID 177135056
1-[(1E,4Z,5Z)-4-ethylidene-1-iodo-2-methylocta-1,5,7-trienyl]-4-methylbenzene
CID 118399077
ethane;[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene;[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene;toluene
CID 142469927
ethane;2-[(3Z)-hexa-1,3,5-trien-2-yl]-5-methylthiophene
CID 164530728
1,4-bis[1-(4-methylphenyl)ethenyl]benzene;ethane
CID 123373957
1-methyl-4-[4-[(4Z)-3-methylidenehepta-1,4,6-trienyl]phenyl]benzene
CID 145376041

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(3Z)-hexa-1,3,5-trien-2-yl]-4-methylbenzene?
The IUPAC name of ethane;1-[(3Z)-hexa-1,3,5-trien-2-yl]-4-methylbenzene (CID 143170529) is ethane;1-[(3Z)-hexa-1,3,5-trien-2-yl]-4-methylbenzene.
What is the SMILES notation for ethane;1-[(3Z)-hexa-1,3,5-trien-2-yl]-4-methylbenzene?
The canonical SMILES for ethane;1-[(3Z)-hexa-1,3,5-trien-2-yl]-4-methylbenzene is C=C/C=C\C(=C)c1ccc(C)cc1.CC.
What is the InChIKey of ethane;1-[(3Z)-hexa-1,3,5-trien-2-yl]-4-methylbenzene?
The InChIKey is SGHRZFLEEOVKHN-YSMBQZINSA-N. The full InChI is InChI=1S/C13H14.C2H6/c1-4-5-6-12(3)13-9-7-11(2)8-10-13;1-2/h4-10H,1,3H2,2H3;1-2H3/b6-5-;.
What are the key properties of ethane;1-[(3Z)-hexa-1,3,5-trien-2-yl]-4-methylbenzene?
ethane;1-[(3Z)-hexa-1,3,5-trien-2-yl]-4-methylbenzene has a molecular weight of 200.32 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(3Z)-hexa-1,3,5-trien-2-yl]-4-methylbenzene is sourced from PubChem (CID 143170529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).