1,2-bis(ethenyl)-3,5-dimethylbenzo[10]annulene

C20H20 — CID 143743667

IUPAC1,2-bis(ethenyl)-3,5-dimethylbenzo[10]annulene
SMILESC=Cc1c(C)cc2c(C)cccccccc2c1C=C
InChIInChI=1S/C20H20/c1-5-17-16(4)14-20-15(3)12-10-8-7-9-11-13-19(20)18(17)6-2/h5-14H,1-2H2,3-4H3/b8-7-,9-7-,10-8-,11-9+,12-10+,13-11+,15-12+,19-13-,20-15-
InChIKeyDETPPSSNVZSEAL-XFBDPGASSA-N
MW260.38 g/mol
LogP5.87
Rot. Bonds2

About 1,2-bis(ethenyl)-3,5-dimethylbenzo[10]annulene

1,2-bis(ethenyl)-3,5-dimethylbenzo[10]annulene (PubChem CID 143743667) has the molecular formula C20H20 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1,2-bis(ethenyl)-3,5-dimethylbenzo[10]annulene.

Molecular Properties

Compound Name1,2-bis(ethenyl)-3,5-dimethylbenzo[10]annulene
PubChem CID143743667
Molecular FormulaC20H20
Molecular Weight260.38 g/mol
Exact Mass260.16
IUPAC Name1,2-bis(ethenyl)-3,5-dimethylbenzo[10]annulene
SMILESC=Cc1c(C)cc2c(C)cccccccc2c1C=C
InChIInChI=1S/C20H20/c1-5-17-16(4)14-20-15(3)12-10-8-7-9-11-13-19(20)18(17)6-2/h5-14H,1-2H2,3-4H3/b8-7-,9-7-,10-8-,11-9+,12-10+,13-11+,15-12+,19-13-,20-15-
InChIKeyDETPPSSNVZSEAL-XFBDPGASSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.38
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-bis(ethenyl)-1,4,5-trimethylnaphthalene
CID 143715386
9-ethenyl-1-methyl-10-[(Z)-prop-1-enyl]phenanthrene
CID 153357607
9-ethenyl-10-methylphenanthrene
CID 123648763
4-ethenyl-3-methylnaphthalene-1-sulfonic acid
CID 139841708
1-chloro-2-ethenyl-3-methylnaphthalene
CID 67126076
6-ethenyl-1,4,7-trimethylnaphthalene
CID 123671430
1-ethenyl-2-methylphenanthrene
CID 18927842
1,5-dimethyl-3-phenylnaphthalene
CID 171720915
acetylene;2-ethenyl-1,3-dimethylbenzene
CID 142972019
4-ethenyl-2,3,5-trimethylnaphthalen-1-amine
CID 54134922
2-ethenyl-1,3,5-trimethylbenzene
CID 158735169
2-ethenyl-1-(methoxymethyl)-3-methylnaphthalene;propane
CID 143275864

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(ethenyl)-3,5-dimethylbenzo[10]annulene?
The IUPAC name of 1,2-bis(ethenyl)-3,5-dimethylbenzo[10]annulene (CID 143743667) is 1,2-bis(ethenyl)-3,5-dimethylbenzo[10]annulene.
What is the SMILES notation for 1,2-bis(ethenyl)-3,5-dimethylbenzo[10]annulene?
The canonical SMILES for 1,2-bis(ethenyl)-3,5-dimethylbenzo[10]annulene is C=Cc1c(C)cc2c(C)cccccccc2c1C=C.
What is the InChIKey of 1,2-bis(ethenyl)-3,5-dimethylbenzo[10]annulene?
The InChIKey is DETPPSSNVZSEAL-XFBDPGASSA-N. The full InChI is InChI=1S/C20H20/c1-5-17-16(4)14-20-15(3)12-10-8-7-9-11-13-19(20)18(17)6-2/h5-14H,1-2H2,3-4H3/b8-7-,9-7-,10-8-,11-9+,12-10+,13-11+,15-12+,19-13-,20-15-.
What are the key properties of 1,2-bis(ethenyl)-3,5-dimethylbenzo[10]annulene?
1,2-bis(ethenyl)-3,5-dimethylbenzo[10]annulene has a molecular weight of 260.38 g/mol, XLogP of 5.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(ethenyl)-3,5-dimethylbenzo[10]annulene is sourced from PubChem (CID 143743667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).