10-methyltricyclo[6.2.1.02,5]undeca-1,5,7,9-tetraene

C12H12 — CID 90717187

IUPAC10-methyltricyclo[6.2.1.02,5]undeca-1,5,7,9-tetraene
SMILESCC1=CC2=CC=C3CCC3=C1C2
InChIInChI=1S/C12H12/c1-8-6-9-2-3-10-4-5-11(10)12(8)7-9/h2-3,6H,4-5,7H2,1H3
InChIKeyFQUJRDRNNFWGOV-UHFFFAOYSA-N
MW156.23 g/mol
LogP3.29
Rot. Bonds

About 10-methyltricyclo[6.2.1.02,5]undeca-1,5,7,9-tetraene

10-methyltricyclo[6.2.1.02,5]undeca-1,5,7,9-tetraene (PubChem CID 90717187) has the molecular formula C12H12 and a molecular weight of 156.23 g/mol. Its IUPAC name is 10-methyltricyclo[6.2.1.02,5]undeca-1,5,7,9-tetraene.

Molecular Properties

Compound Name10-methyltricyclo[6.2.1.02,5]undeca-1,5,7,9-tetraene
PubChem CID90717187
Molecular FormulaC12H12
Molecular Weight156.23 g/mol
Exact Mass156.09
IUPAC Name10-methyltricyclo[6.2.1.02,5]undeca-1,5,7,9-tetraene
SMILESCC1=CC2=CC=C3CCC3=C1C2
InChIInChI=1S/C12H12/c1-8-6-9-2-3-10-4-5-11(10)12(8)7-9/h2-3,6H,4-5,7H2,1H3
InChIKeyFQUJRDRNNFWGOV-UHFFFAOYSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;2-fluoro-1-[3-fluoro-4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4-methylcyclohexa-1,3-diene
CID 153354240
1-methyl-4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene
CID 59165307
2,3-difluoro-1-methoxy-4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene;ethane
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6-methylbicyclo[3.2.0]hepta-1(5),6-diene
CID 91189897
(3Z,7Z,9E)-tricyclo[8.2.2.24,7]hexadeca-1,3,5,7,9,11-hexaene-5,12-dicarboxylic acid
CID 141018935
1-fluoro-4-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
CID 155582400
2-[4-[4-[4-[3-hydroxy-4-[4-[4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]-4-[4-[4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,4-dien-1-ol
CID 91157778
CID 143958487
CID 143958487
1-tert-butyl-4-(4-tert-butylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
CID 91433632
hexacyclo[15.4.1.12,5.16,11.03,15.04,13]tetracosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 101378249
[4-[2,3-difluoro-4-(2-methylprop-2-enoyloxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl] 2-methylprop-2-enoate
CID 137428591
1-bromo-4-(4-bromocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
CID 88562939

Frequently Asked Questions

What is the IUPAC name of 10-methyltricyclo[6.2.1.02,5]undeca-1,5,7,9-tetraene?
The IUPAC name of 10-methyltricyclo[6.2.1.02,5]undeca-1,5,7,9-tetraene (CID 90717187) is 10-methyltricyclo[6.2.1.02,5]undeca-1,5,7,9-tetraene.
What is the SMILES notation for 10-methyltricyclo[6.2.1.02,5]undeca-1,5,7,9-tetraene?
The canonical SMILES for 10-methyltricyclo[6.2.1.02,5]undeca-1,5,7,9-tetraene is CC1=CC2=CC=C3CCC3=C1C2.
What is the InChIKey of 10-methyltricyclo[6.2.1.02,5]undeca-1,5,7,9-tetraene?
The InChIKey is FQUJRDRNNFWGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12/c1-8-6-9-2-3-10-4-5-11(10)12(8)7-9/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 10-methyltricyclo[6.2.1.02,5]undeca-1,5,7,9-tetraene?
10-methyltricyclo[6.2.1.02,5]undeca-1,5,7,9-tetraene has a molecular weight of 156.23 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyltricyclo[6.2.1.02,5]undeca-1,5,7,9-tetraene is sourced from PubChem (CID 90717187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).