6,7-dimethyl-8H-benzo[7]annulene

C13H14 — CID 142504411

IUPAC6,7-dimethyl-8H-benzo[7]annulene
SMILESCC1=C(C)CC=c2ccccc2=C1
InChIInChI=1S/C13H14/c1-10-7-8-12-5-3-4-6-13(12)9-11(10)2/h3-6,8-9H,7H2,1-2H3
InChIKeyCHKKTXXWDVEGSN-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.99
Rot. Bonds

About 6,7-dimethyl-8H-benzo[7]annulene

6,7-dimethyl-8H-benzo[7]annulene (PubChem CID 142504411) has the molecular formula C13H14 and a molecular weight of 170.25 g/mol. Its IUPAC name is 6,7-dimethyl-8H-benzo[7]annulene.

Molecular Properties

Compound Name6,7-dimethyl-8H-benzo[7]annulene
PubChem CID142504411
Molecular FormulaC13H14
Molecular Weight170.25 g/mol
Exact Mass170.11
IUPAC Name6,7-dimethyl-8H-benzo[7]annulene
SMILESCC1=C(C)CC=c2ccccc2=C1
InChIInChI=1S/C13H14/c1-10-7-8-12-5-3-4-6-13(12)9-11(10)2/h3-6,8-9H,7H2,1-2H3
InChIKeyCHKKTXXWDVEGSN-UHFFFAOYSA-N
XLogP1.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;3-methylidene-2H-naphthalene
CID 144558774
1-methyl-2H-indene
CID 59944755
3-butylidene-2H-naphthalene
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4-azatricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6,10,12,14-heptaene
CID 54208249
2,3-dihydronaphthalene;methane
CID 142417654
2-(2,5-dimethylcyclopenta-1,4-dien-1-yl)aniline
CID 66593869
methanethiol;1-methyl-2,3-dihydronaphthalene
CID 143782367
bis(1,2-dimethylcyclopenta-1,3-diene);2,3-dimethylcyclopenta-1,3-diene;ethane;1,2-xylene
CID 158097418
5-methyl-7,8-dihydro-6H-benzo[7]annulene
CID 143041691
5-methyl-8H-benzo[7]annulene
CID 142246381
6-(3H-naphthalen-2-ylidene)hexa-2,4-dienoic acid
CID 173312991
CID 176954791
CID 176954791

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-8H-benzo[7]annulene?
The IUPAC name of 6,7-dimethyl-8H-benzo[7]annulene (CID 142504411) is 6,7-dimethyl-8H-benzo[7]annulene.
What is the SMILES notation for 6,7-dimethyl-8H-benzo[7]annulene?
The canonical SMILES for 6,7-dimethyl-8H-benzo[7]annulene is CC1=C(C)CC=c2ccccc2=C1.
What is the InChIKey of 6,7-dimethyl-8H-benzo[7]annulene?
The InChIKey is CHKKTXXWDVEGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14/c1-10-7-8-12-5-3-4-6-13(12)9-11(10)2/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 6,7-dimethyl-8H-benzo[7]annulene?
6,7-dimethyl-8H-benzo[7]annulene has a molecular weight of 170.25 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-8H-benzo[7]annulene is sourced from PubChem (CID 142504411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).