[(1E,3E,5E)-7-methylocta-1,3,5-trienyl]benzene

C15H18 — CID 176640300

IUPAC[(1E,3E,5E)-7-methylocta-1,3,5-trienyl]benzene
SMILESCC(C)/C=C/C=C/C=C/c1ccccc1
InChIInChI=1S/C15H18/c1-14(2)10-6-3-4-7-11-15-12-8-5-9-13-15/h3-14H,1-2H3/b4-3+,10-6+,11-7+
InChIKeyYYVABWANZZWUEF-VXDDTBQRSA-N
MW198.31 g/mol
LogP4.47
Rot. Bonds4

About [(1E,3E,5E)-7-methylocta-1,3,5-trienyl]benzene

[(1E,3E,5E)-7-methylocta-1,3,5-trienyl]benzene (PubChem CID 176640300) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is [(1E,3E,5E)-7-methylocta-1,3,5-trienyl]benzene.

Molecular Properties

Compound Name[(1E,3E,5E)-7-methylocta-1,3,5-trienyl]benzene
PubChem CID176640300
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name[(1E,3E,5E)-7-methylocta-1,3,5-trienyl]benzene
SMILESCC(C)/C=C/C=C/C=C/c1ccccc1
InChIInChI=1S/C15H18/c1-14(2)10-6-3-4-7-11-15-12-8-5-9-13-15/h3-14H,1-2H3/b4-3+,10-6+,11-7+
InChIKeyYYVABWANZZWUEF-VXDDTBQRSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.47
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

[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
4-phenylbuta-1,3-dienylbenzene
CID 162273071
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
(2S,3E,5E)-2-hydroxy-6-phenylhexa-3,5-dienoic acid
CID 102074553
trimethyl(2-phenylethenyl)phosphanium
CID 69015838
5-[(1E,3E)-4-phenylbuta-1,3-dienyl]-2-propan-2-ylbenzene-1,3-diol
CID 71488581
[(1E,3Z)-hexa-1,3,5-trienyl]benzene
CID 12714123
1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156
N,N-dimethyl-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]aniline
CID 6015156
N,N-dimethyl-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]aniline
CID 10875699
azane;1,1'-biphenyl;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
CID 88641143
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765

Frequently Asked Questions

What is the IUPAC name of [(1E,3E,5E)-7-methylocta-1,3,5-trienyl]benzene?
The IUPAC name of [(1E,3E,5E)-7-methylocta-1,3,5-trienyl]benzene (CID 176640300) is [(1E,3E,5E)-7-methylocta-1,3,5-trienyl]benzene.
What is the SMILES notation for [(1E,3E,5E)-7-methylocta-1,3,5-trienyl]benzene?
The canonical SMILES for [(1E,3E,5E)-7-methylocta-1,3,5-trienyl]benzene is CC(C)/C=C/C=C/C=C/c1ccccc1.
What is the InChIKey of [(1E,3E,5E)-7-methylocta-1,3,5-trienyl]benzene?
The InChIKey is YYVABWANZZWUEF-VXDDTBQRSA-N. The full InChI is InChI=1S/C15H18/c1-14(2)10-6-3-4-7-11-15-12-8-5-9-13-15/h3-14H,1-2H3/b4-3+,10-6+,11-7+.
What are the key properties of [(1E,3E,5E)-7-methylocta-1,3,5-trienyl]benzene?
[(1E,3E,5E)-7-methylocta-1,3,5-trienyl]benzene has a molecular weight of 198.31 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3E,5E)-7-methylocta-1,3,5-trienyl]benzene is sourced from PubChem (CID 176640300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).