5,11-dimethyl-3,5-dihydro-2H-benzo[9]annulene

C15H18 — CID 90758670

IUPAC5,11-dimethyl-3,5-dihydro-2H-benzo[9]annulene
SMILESCC1=CC=CC=CC(C)C2=CCCC=C12
InChIInChI=1S/C15H18/c1-12-8-4-3-5-9-13(2)15-11-7-6-10-14(12)15/h3-5,8-12H,6-7H2,1-2H3
InChIKeyAAXOYVCRFDEVHX-UHFFFAOYSA-N
MW198.31 g/mol
LogP4.34
Rot. Bonds

About 5,11-dimethyl-3,5-dihydro-2H-benzo[9]annulene

5,11-dimethyl-3,5-dihydro-2H-benzo[9]annulene (PubChem CID 90758670) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 5,11-dimethyl-3,5-dihydro-2H-benzo[9]annulene.

Molecular Properties

Compound Name5,11-dimethyl-3,5-dihydro-2H-benzo[9]annulene
PubChem CID90758670
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name5,11-dimethyl-3,5-dihydro-2H-benzo[9]annulene
SMILESCC1=CC=CC=CC(C)C2=CCCC=C12
InChIInChI=1S/C15H18/c1-12-8-4-3-5-9-13(2)15-11-7-6-10-14(12)15/h3-5,8-12H,6-7H2,1-2H3
InChIKeyAAXOYVCRFDEVHX-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(7R)-1-[(1R)-1-methoxyethyl]-7-methylcyclohepta-1,3,5-triene
CID 59910093
methane;7-methyl-1-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene
CID 143402617
cobalt;1-cyclopenta-1,3-dien-1-yl-5-methylcyclopenta-1,3-diene
CID 174568415
1,5-dimethyl-4aH-benzo[7]annulene
CID 91554041
1-chloro-3,7-dimethylcyclohepta-1,3,5-triene
CID 143627296
(7-methylcyclohepta-1,3,5-trien-1-yl) 2-methylidenebutanoate
CID 139334121
difluorozirconium;1,5-dimethylcyclopenta-1,3-diene
CID 174427609
3-methylcyclodeca-1,3,5,7-tetraene
CID 91613149
3-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]-5,6-dihydro-1H-indene
CID 154688154
ethane;5-methylcyclopenta-1,3-diene
CID 91295870
cobalt;cyclopentane;5-methylcyclopenta-1,3-diene
CID 172773406
1,6,7-trimethylcyclohepta-1,3,5-triene
CID 123961293

Frequently Asked Questions

What is the IUPAC name of 5,11-dimethyl-3,5-dihydro-2H-benzo[9]annulene?
The IUPAC name of 5,11-dimethyl-3,5-dihydro-2H-benzo[9]annulene (CID 90758670) is 5,11-dimethyl-3,5-dihydro-2H-benzo[9]annulene.
What is the SMILES notation for 5,11-dimethyl-3,5-dihydro-2H-benzo[9]annulene?
The canonical SMILES for 5,11-dimethyl-3,5-dihydro-2H-benzo[9]annulene is CC1=CC=CC=CC(C)C2=CCCC=C12.
What is the InChIKey of 5,11-dimethyl-3,5-dihydro-2H-benzo[9]annulene?
The InChIKey is AAXOYVCRFDEVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18/c1-12-8-4-3-5-9-13(2)15-11-7-6-10-14(12)15/h3-5,8-12H,6-7H2,1-2H3.
What are the key properties of 5,11-dimethyl-3,5-dihydro-2H-benzo[9]annulene?
5,11-dimethyl-3,5-dihydro-2H-benzo[9]annulene has a molecular weight of 198.31 g/mol, XLogP of 4.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dimethyl-3,5-dihydro-2H-benzo[9]annulene is sourced from PubChem (CID 90758670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).