5,5,6-trimethylbenzo[7]annulene

C14H16 — CID 144827582

IUPAC5,5,6-trimethylbenzo[7]annulene
SMILESCC1=CC=Cc2ccccc2C1(C)C
InChIInChI=1S/C14H16/c1-11-7-6-9-12-8-4-5-10-13(12)14(11,2)3/h4-10H,1-3H3
InChIKeyXBOHNTYTYSPRIR-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.94
Rot. Bonds

About 5,5,6-trimethylbenzo[7]annulene

5,5,6-trimethylbenzo[7]annulene (PubChem CID 144827582) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is 5,5,6-trimethylbenzo[7]annulene.

Molecular Properties

Compound Name5,5,6-trimethylbenzo[7]annulene
PubChem CID144827582
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name5,5,6-trimethylbenzo[7]annulene
SMILESCC1=CC=Cc2ccccc2C1(C)C
InChIInChI=1S/C14H16/c1-11-7-6-9-12-8-4-5-10-13(12)14(11,2)3/h4-10H,1-3H3
InChIKeyXBOHNTYTYSPRIR-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

10,11,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3,5,7,9,12,14-heptaene
CID 145173461
1-(amino-butan-2-yl-fluoro-λ4-sulfanyl)-2-methyl-4-phenyl-3-[(3E)-2,3,5-trimethylhexa-3,5-dien-2-yl]benzene;5,5,6-trimethylbenzo[7]annulene
CID 144827646
N,2-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine
CID 154303446
7b-methyl-1,1a-dihydrocyclopropa[a]naphthalene
CID 142093034
3-methyl-1H-1-benzazocin-2-one
CID 74259383
dichloro-(1-methylinden-1-yl)borane
CID 135083238
1,1,3,3-tetramethylspiro[cyclobutane-2,1'-indene]
CID 58564330
(1S)-1-iodo-1-methyl-2H-naphthalene
CID 70994491
10-methylbicyclo[4.3.1]deca-1(10),2,4,6,8-pentaene
CID 163536281
1,2-dimethyl-1-(4-methylphenyl)indene
CID 143243709
2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxylic acid
CID 134096624
2,6-bis(1-methylinden-1-yl)pyridine
CID 139415880

Frequently Asked Questions

What is the IUPAC name of 5,5,6-trimethylbenzo[7]annulene?
The IUPAC name of 5,5,6-trimethylbenzo[7]annulene (CID 144827582) is 5,5,6-trimethylbenzo[7]annulene.
What is the SMILES notation for 5,5,6-trimethylbenzo[7]annulene?
The canonical SMILES for 5,5,6-trimethylbenzo[7]annulene is CC1=CC=Cc2ccccc2C1(C)C.
What is the InChIKey of 5,5,6-trimethylbenzo[7]annulene?
The InChIKey is XBOHNTYTYSPRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16/c1-11-7-6-9-12-8-4-5-10-13(12)14(11,2)3/h4-10H,1-3H3.
What are the key properties of 5,5,6-trimethylbenzo[7]annulene?
5,5,6-trimethylbenzo[7]annulene has a molecular weight of 184.28 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6-trimethylbenzo[7]annulene is sourced from PubChem (CID 144827582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).