(9S)-9-methyltricyclo[6.2.1.02,7]undeca-2,4,6-triene

C12H14 — CID 140882379

IUPAC(9S)-9-methyltricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESC[C@H]1CC2CC1c1ccccc12
InChIInChI=1S/C12H14/c1-8-6-9-7-12(8)11-5-3-2-4-10(9)11/h2-5,8-9,12H,6-7H2,1H3/t8-,9?,12?/m0/s1
InChIKeyGYMYDNQFUUNWOU-QTZUAFFRSA-N
MW158.24 g/mol
LogP3.30
Rot. Bonds

About (9S)-9-methyltricyclo[6.2.1.02,7]undeca-2,4,6-triene

(9S)-9-methyltricyclo[6.2.1.02,7]undeca-2,4,6-triene (PubChem CID 140882379) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is (9S)-9-methyltricyclo[6.2.1.02,7]undeca-2,4,6-triene.

Molecular Properties

Compound Name(9S)-9-methyltricyclo[6.2.1.02,7]undeca-2,4,6-triene
PubChem CID140882379
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Name(9S)-9-methyltricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESC[C@H]1CC2CC1c1ccccc12
InChIInChI=1S/C12H14/c1-8-6-9-7-12(8)11-5-3-2-4-10(9)11/h2-5,8-9,12H,6-7H2,1H3/t8-,9?,12?/m0/s1
InChIKeyGYMYDNQFUUNWOU-QTZUAFFRSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[(1S,2R)-2-methylcyclopropyl]phenol
CID 176896077
1-methoxy-2-(2-methylcyclopropyl)benzene
CID 12651013
1-bromo-2-[(1S,2S)-2-methylcyclopropyl]benzene
CID 99867115
[2-(2-methylcyclopropyl)phenyl]hydrazine
CID 143335485
trimethyl-[2-(9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)ethynyl]silane
CID 101413061
ethane;tricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 91342553
(3S)-1,3-dimethyl-2,3-dihydro-1H-indene
CID 143951833
8-tert-butyltetracyclo[13.1.1.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaene
CID 155609294
tricyclo[6.2.2.02,7]dodeca-2,4,6-triene
CID 582301
(5S)-tricyclo[4.4.0.02,5]deca-1(10),6,8-triene
CID 68882978
3-(2-methylphenyl)cyclobutan-1-ol
CID 60792741
(1S,8S,9R)-9-bromotricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one
CID 134893539

Frequently Asked Questions

What is the IUPAC name of (9S)-9-methyltricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The IUPAC name of (9S)-9-methyltricyclo[6.2.1.02,7]undeca-2,4,6-triene (CID 140882379) is (9S)-9-methyltricyclo[6.2.1.02,7]undeca-2,4,6-triene.
What is the SMILES notation for (9S)-9-methyltricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The canonical SMILES for (9S)-9-methyltricyclo[6.2.1.02,7]undeca-2,4,6-triene is C[C@H]1CC2CC1c1ccccc12.
What is the InChIKey of (9S)-9-methyltricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The InChIKey is GYMYDNQFUUNWOU-QTZUAFFRSA-N. The full InChI is InChI=1S/C12H14/c1-8-6-9-7-12(8)11-5-3-2-4-10(9)11/h2-5,8-9,12H,6-7H2,1H3/t8-,9?,12?/m0/s1.
What are the key properties of (9S)-9-methyltricyclo[6.2.1.02,7]undeca-2,4,6-triene?
(9S)-9-methyltricyclo[6.2.1.02,7]undeca-2,4,6-triene has a molecular weight of 158.24 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-9-methyltricyclo[6.2.1.02,7]undeca-2,4,6-triene is sourced from PubChem (CID 140882379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).