6,7-dimethyl-9H-benzo[7]annulene

C13H14 — CID 142104722

IUPAC6,7-dimethyl-9H-benzo[7]annulene
SMILESCC1=CCc2ccccc2C=C1C
InChIInChI=1S/C13H14/c1-10-7-8-12-5-3-4-6-13(12)9-11(10)2/h3-7,9H,8H2,1-2H3
InChIKeyPMSFTLRBGNRHON-UHFFFAOYSA-N
MW170.25 g/mol
LogP3.59
Rot. Bonds

About 6,7-dimethyl-9H-benzo[7]annulene

6,7-dimethyl-9H-benzo[7]annulene (PubChem CID 142104722) has the molecular formula C13H14 and a molecular weight of 170.25 g/mol. Its IUPAC name is 6,7-dimethyl-9H-benzo[7]annulene.

Molecular Properties

Compound Name6,7-dimethyl-9H-benzo[7]annulene
PubChem CID142104722
Molecular FormulaC13H14
Molecular Weight170.25 g/mol
Exact Mass170.11
IUPAC Name6,7-dimethyl-9H-benzo[7]annulene
SMILESCC1=CCc2ccccc2C=C1C
InChIInChI=1S/C13H14/c1-10-7-8-12-5-3-4-6-13(12)9-11(10)2/h3-7,9H,8H2,1-2H3
InChIKeyPMSFTLRBGNRHON-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;3-methyl-1H-indene
CID 90920725
3-methyl-1H-naphthalen-2-one;molecular hydrogen
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ethane;2-methyl-1H-indene
CID 54388135
dilithium;hydride;2-methyl-1H-indene
CID 174389256
2-methyl-1H-indene;titanium(3+);trichloride
CID 157408587
2,3-dimethyl-1,2-dihydronaphthalene
CID 121008714
1H-indene;methane
CID 157370172
1H-indene;methane
CID 22114429
6-methyl-11H-pyrrolo[1,2-b][2]benzazepine
CID 14612759
9H-benzo[7]annulene-7-carbaldehyde
CID 143210537
5,8-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene
CID 144613079
4-ethyl-3-methyl-1H-indene
CID 123532041

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-9H-benzo[7]annulene?
The IUPAC name of 6,7-dimethyl-9H-benzo[7]annulene (CID 142104722) is 6,7-dimethyl-9H-benzo[7]annulene.
What is the SMILES notation for 6,7-dimethyl-9H-benzo[7]annulene?
The canonical SMILES for 6,7-dimethyl-9H-benzo[7]annulene is CC1=CCc2ccccc2C=C1C.
What is the InChIKey of 6,7-dimethyl-9H-benzo[7]annulene?
The InChIKey is PMSFTLRBGNRHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14/c1-10-7-8-12-5-3-4-6-13(12)9-11(10)2/h3-7,9H,8H2,1-2H3.
What are the key properties of 6,7-dimethyl-9H-benzo[7]annulene?
6,7-dimethyl-9H-benzo[7]annulene has a molecular weight of 170.25 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-9H-benzo[7]annulene is sourced from PubChem (CID 142104722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).