(2S,3S,4R,7R)-7-methyltetracyclo[6.4.0.02,4.03,7]dodeca-1(12),8,10-triene

C13H14 — CID 11171225

IUPAC(2S,3S,4R,7R)-7-methyltetracyclo[6.4.0.02,4.03,7]dodeca-1(12),8,10-triene
SMILESC[C@]12CC[C@H]3[C@H](c4ccccc41)[C@H]32
InChIInChI=1S/C13H14/c1-13-7-6-9-11(12(9)13)8-4-2-3-5-10(8)13/h2-5,9,11-12H,6-7H2,1H3/t9-,11-,12-,13-/m0/s1
InChIKeyQPXIMLXGKPIFOC-BQUFFADESA-N
MW170.26 g/mol
LogP3.08
Rot. Bonds

About (2S,3S,4R,7R)-7-methyltetracyclo[6.4.0.02,4.03,7]dodeca-1(12),8,10-triene

(2S,3S,4R,7R)-7-methyltetracyclo[6.4.0.02,4.03,7]dodeca-1(12),8,10-triene (PubChem CID 11171225) has the molecular formula C13H14 and a molecular weight of 170.26 g/mol. Its IUPAC name is (2S,3S,4R,7R)-7-methyltetracyclo[6.4.0.02,4.03,7]dodeca-1(12),8,10-triene.

Molecular Properties

Compound Name(2S,3S,4R,7R)-7-methyltetracyclo[6.4.0.02,4.03,7]dodeca-1(12),8,10-triene
PubChem CID11171225
Molecular FormulaC13H14
Molecular Weight170.26 g/mol
Exact Mass170.11
IUPAC Name(2S,3S,4R,7R)-7-methyltetracyclo[6.4.0.02,4.03,7]dodeca-1(12),8,10-triene
SMILESC[C@]12CC[C@H]3[C@H](c4ccccc41)[C@H]32
InChIInChI=1S/C13H14/c1-13-7-6-9-11(12(9)13)8-4-2-3-5-10(8)13/h2-5,9,11-12H,6-7H2,1H3/t9-,11-,12-,13-/m0/s1
InChIKeyQPXIMLXGKPIFOC-BQUFFADESA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (2S,3S,4R,7R)-7-methyltetracyclo[6.4.0.02,4.03,7]dodeca-1(12),8,10-triene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,7R)-7-methyltetracyclo[6.4.0.02,4.03,7]dodeca-1(12),8,10-triene?
The IUPAC name of (2S,3S,4R,7R)-7-methyltetracyclo[6.4.0.02,4.03,7]dodeca-1(12),8,10-triene (CID 11171225) is (2S,3S,4R,7R)-7-methyltetracyclo[6.4.0.02,4.03,7]dodeca-1(12),8,10-triene.
What is the SMILES notation for (2S,3S,4R,7R)-7-methyltetracyclo[6.4.0.02,4.03,7]dodeca-1(12),8,10-triene?
The canonical SMILES for (2S,3S,4R,7R)-7-methyltetracyclo[6.4.0.02,4.03,7]dodeca-1(12),8,10-triene is C[C@]12CC[C@H]3[C@H](c4ccccc41)[C@H]32.
What is the InChIKey of (2S,3S,4R,7R)-7-methyltetracyclo[6.4.0.02,4.03,7]dodeca-1(12),8,10-triene?
The InChIKey is QPXIMLXGKPIFOC-BQUFFADESA-N. The full InChI is InChI=1S/C13H14/c1-13-7-6-9-11(12(9)13)8-4-2-3-5-10(8)13/h2-5,9,11-12H,6-7H2,1H3/t9-,11-,12-,13-/m0/s1.
What are the key properties of (2S,3S,4R,7R)-7-methyltetracyclo[6.4.0.02,4.03,7]dodeca-1(12),8,10-triene?
(2S,3S,4R,7R)-7-methyltetracyclo[6.4.0.02,4.03,7]dodeca-1(12),8,10-triene has a molecular weight of 170.26 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 (2S,3S,4R,7R)-7-methyltetracyclo[6.4.0.02,4.03,7]dodeca-1(12),8,10-triene is sourced from PubChem (CID 11171225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).