1,2-bis(3-methylbuta-1,2-dienyl)benzene

C16H18 — CID 12825766

IUPAC1,2-bis(3-methylbuta-1,2-dienyl)benzene
SMILESCC(C)=C=Cc1ccccc1C=C=C(C)C
InChIInChI=1S/C16H18/c1-13(2)9-11-15-7-5-6-8-16(15)12-10-14(3)4/h5-8,11-12H,1-4H3
InChIKeyLPIUSLSFARWCNG-UHFFFAOYSA-N
MW210.32 g/mol
LogP4.84
Rot. Bonds2

About 1,2-bis(3-methylbuta-1,2-dienyl)benzene

1,2-bis(3-methylbuta-1,2-dienyl)benzene (PubChem CID 12825766) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1,2-bis(3-methylbuta-1,2-dienyl)benzene.

Molecular Properties

Compound Name1,2-bis(3-methylbuta-1,2-dienyl)benzene
PubChem CID12825766
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Name1,2-bis(3-methylbuta-1,2-dienyl)benzene
SMILESCC(C)=C=Cc1ccccc1C=C=C(C)C
InChIInChI=1S/C16H18/c1-13(2)9-11-15-7-5-6-8-16(15)12-10-14(3)4/h5-8,11-12H,1-4H3
InChIKeyLPIUSLSFARWCNG-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-4-[4-[2-(2-methylprop-1-enyl)phenyl]buta-2,3-dien-2-yl]benzene
CID 102481634
2-(2-methylprop-1-enyl)benzenethiol
CID 90136513
4-methylpenta-1,2,3-trienylbenzene
CID 11805007
4-methylpenta-2,3-dien-2-ylbenzene
CID 10725633
2,6-dimethylhepta-4,5-dien-2-ylbenzene
CID 132598194
1-(2-methylprop-2-enyl)-2-propa-1,2-dienylbenzene
CID 86068173
ethyl 2-methyl-4-naphthalen-1-ylbuta-2,3-dienoate
CID 46210536
benzene;bis(1-(3-diphenylphosphoryl-4,4-dimethylpenta-1,2-dienyl)-2-(2-phenylethynyl)benzene)
CID 139190653
3-(3-methylbuta-1,2-dienyl)-2-pentyl-1-benzofuran
CID 11054219
ethyl 2-methyl-4-(2-phenylphenyl)buta-2,3-dienoate
CID 88812743
1,2-bis(ethenyl)benzene;2-methylbuta-1,3-diene
CID 6454102
2-[(1E)-2-methylpenta-1,4-dienyl]benzenethiol
CID 56984915

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(3-methylbuta-1,2-dienyl)benzene?
The IUPAC name of 1,2-bis(3-methylbuta-1,2-dienyl)benzene (CID 12825766) is 1,2-bis(3-methylbuta-1,2-dienyl)benzene.
What is the SMILES notation for 1,2-bis(3-methylbuta-1,2-dienyl)benzene?
The canonical SMILES for 1,2-bis(3-methylbuta-1,2-dienyl)benzene is CC(C)=C=Cc1ccccc1C=C=C(C)C.
What is the InChIKey of 1,2-bis(3-methylbuta-1,2-dienyl)benzene?
The InChIKey is LPIUSLSFARWCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18/c1-13(2)9-11-15-7-5-6-8-16(15)12-10-14(3)4/h5-8,11-12H,1-4H3.
What are the key properties of 1,2-bis(3-methylbuta-1,2-dienyl)benzene?
1,2-bis(3-methylbuta-1,2-dienyl)benzene has a molecular weight of 210.32 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(3-methylbuta-1,2-dienyl)benzene is sourced from PubChem (CID 12825766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).