1,6,7-trimethylcyclohepta-1,3,5-triene

C10H14 — CID 123961293

IUPAC1,6,7-trimethylcyclohepta-1,3,5-triene
SMILESCC1=CC=CC=C(C)C1C
InChIInChI=1S/C10H14/c1-8-6-4-5-7-9(2)10(8)3/h4-7,10H,1-3H3
InChIKeyXBSXGQILEGHRAO-UHFFFAOYSA-N
MW134.22 g/mol
LogP3.08
Rot. Bonds

About 1,6,7-trimethylcyclohepta-1,3,5-triene

1,6,7-trimethylcyclohepta-1,3,5-triene (PubChem CID 123961293) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 1,6,7-trimethylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name1,6,7-trimethylcyclohepta-1,3,5-triene
PubChem CID123961293
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name1,6,7-trimethylcyclohepta-1,3,5-triene
SMILESCC1=CC=CC=C(C)C1C
InChIInChI=1S/C10H14/c1-8-6-4-5-7-9(2)10(8)3/h4-7,10H,1-3H3
InChIKeyXBSXGQILEGHRAO-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,6-dimethyl-5-methylidenecyclohexa-1,3-diene
CID 141384688
(5S)-1-fluoro-4,5-dimethylcyclopenta-1,3-diene
CID 163495167
CID 101108904
CID 101108904
1,5-dimethyl-4a,8a-dihydronaphthalene
CID 15555373
2,3,4,7-tetramethyl-3H-azepine
CID 147408067
difluorozirconium;1,5-dimethylcyclopenta-1,3-diene
CID 174427609
(2-methylcyclopenta-2,4-dien-1-yl)silane
CID 150982672
1,5-dimethyl-4aH-benzo[7]annulene
CID 91554041
1,4,5,8-tetramethyl-4a,8a-dihydronaphthalene
CID 123483925
1-amino-5,6-dimethylcyclohexa-2,4-dien-1-ol
CID 70634940
(1Z,3Z)-1,5,8-trimethylcycloocta-1,3,5-triene
CID 145266562
5-cyclopenta-2,4-dien-1-yl-1-methylcyclopenta-1,3-diene
CID 15153107

Frequently Asked Questions

What is the IUPAC name of 1,6,7-trimethylcyclohepta-1,3,5-triene?
The IUPAC name of 1,6,7-trimethylcyclohepta-1,3,5-triene (CID 123961293) is 1,6,7-trimethylcyclohepta-1,3,5-triene.
What is the SMILES notation for 1,6,7-trimethylcyclohepta-1,3,5-triene?
The canonical SMILES for 1,6,7-trimethylcyclohepta-1,3,5-triene is CC1=CC=CC=C(C)C1C.
What is the InChIKey of 1,6,7-trimethylcyclohepta-1,3,5-triene?
The InChIKey is XBSXGQILEGHRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-8-6-4-5-7-9(2)10(8)3/h4-7,10H,1-3H3.
What are the key properties of 1,6,7-trimethylcyclohepta-1,3,5-triene?
1,6,7-trimethylcyclohepta-1,3,5-triene has a molecular weight of 134.22 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,7-trimethylcyclohepta-1,3,5-triene is sourced from PubChem (CID 123961293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).