2-ethenyl-1-methylhexacene

C29H20 — CID 143109680

IUPAC2-ethenyl-1-methylhexacene
SMILESC=Cc1ccc2cc3cc4cc5cc6ccccc6cc5cc4cc3cc2c1C
InChIInChI=1S/C29H20/c1-3-19-8-9-22-12-25-15-26-13-23-10-20-6-4-5-7-21(20)11-24(23)14-27(26)16-28(25)17-29(22)18(19)2/h3-17H,1H2,2H3
InChIKeyKMZUCAZZPRVAKB-UHFFFAOYSA-N
MW368.48 g/mol
LogP8.40
Rot. Bonds1

About 2-ethenyl-1-methylhexacene

2-ethenyl-1-methylhexacene (PubChem CID 143109680) has the molecular formula C29H20 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-ethenyl-1-methylhexacene.

Molecular Properties

Compound Name2-ethenyl-1-methylhexacene
PubChem CID143109680
Molecular FormulaC29H20
Molecular Weight368.48 g/mol
Exact Mass368.16
IUPAC Name2-ethenyl-1-methylhexacene
SMILESC=Cc1ccc2cc3cc4cc5cc6ccccc6cc5cc4cc3cc2c1C
InChIInChI=1S/C29H20/c1-3-19-8-9-22-12-25-15-26-13-23-10-20-6-4-5-7-21(20)11-24(23)14-27(26)16-28(25)17-29(22)18(19)2/h3-17H,1H2,2H3
InChIKeyKMZUCAZZPRVAKB-UHFFFAOYSA-N
XLogP8.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-ethenyl-1,7-dimethylnaphthalene
CID 142881924
2-ethenyl-1-heptylanthracene
CID 19033824
2-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]-1-methyltetracene
CID 140590775
2,3-bis(ethenyl)naphthalene;ethane
CID 142152066
1,2-bis(ethenyl)benzene;ethene;naphthalene
CID 166536804
5,13-dimethylpentacene;ethane
CID 144696296
octacyclo[16.16.0.02,15.04,13.06,11.019,32.021,30.023,28]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene
CID 12657600
1,4-bis(ethenyl)-2,3-dimethylbenzene;dihydrate
CID 134586687
2,3-bis(ethenyl)phenanthrene
CID 144756778
N-[3,4-bis(ethenyl)phenyl]-N-methylnaphthalen-2-amine
CID 143975290
2-(2-ethenylphenyl)anthracene
CID 19426140
2-ethenyl-1-phenylanthracene;9-(2-ethenylphenyl)anthracene
CID 160605394

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-methylhexacene?
The IUPAC name of 2-ethenyl-1-methylhexacene (CID 143109680) is 2-ethenyl-1-methylhexacene.
What is the SMILES notation for 2-ethenyl-1-methylhexacene?
The canonical SMILES for 2-ethenyl-1-methylhexacene is C=Cc1ccc2cc3cc4cc5cc6ccccc6cc5cc4cc3cc2c1C.
What is the InChIKey of 2-ethenyl-1-methylhexacene?
The InChIKey is KMZUCAZZPRVAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20/c1-3-19-8-9-22-12-25-15-26-13-23-10-20-6-4-5-7-21(20)11-24(23)14-27(26)16-28(25)17-29(22)18(19)2/h3-17H,1H2,2H3.
What are the key properties of 2-ethenyl-1-methylhexacene?
2-ethenyl-1-methylhexacene has a molecular weight of 368.48 g/mol, XLogP of 8.40, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-methylhexacene is sourced from PubChem (CID 143109680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).