(1S,8S)-9,9-dimethylbicyclo[6.1.0]nona-2,4,6-triene

C11H14 — CID 71408761

IUPAC(1S,8S)-9,9-dimethylbicyclo[6.1.0]nona-2,4,6-triene
SMILESCC1(C)[C@H]2C=CC=CC=C[C@@H]21
InChIInChI=1S/C11H14/c1-11(2)9-7-5-3-4-6-8-10(9)11/h3-10H,1-2H3/t9-,10-/m0/s1
InChIKeyKEJMCDIIYHPJOW-UWVGGRQHSA-N
MW146.23 g/mol
LogP2.94
Rot. Bonds

About (1S,8S)-9,9-dimethylbicyclo[6.1.0]nona-2,4,6-triene

(1S,8S)-9,9-dimethylbicyclo[6.1.0]nona-2,4,6-triene (PubChem CID 71408761) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is (1S,8S)-9,9-dimethylbicyclo[6.1.0]nona-2,4,6-triene.

Molecular Properties

Compound Name(1S,8S)-9,9-dimethylbicyclo[6.1.0]nona-2,4,6-triene
PubChem CID71408761
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Name(1S,8S)-9,9-dimethylbicyclo[6.1.0]nona-2,4,6-triene
SMILESCC1(C)[C@H]2C=CC=CC=C[C@@H]21
InChIInChI=1S/C11H14/c1-11(2)9-7-5-3-4-6-8-10(9)11/h3-10H,1-2H3/t9-,10-/m0/s1
InChIKeyKEJMCDIIYHPJOW-UWVGGRQHSA-N
XLogP2.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1S,8S)-9,9-dimethylbicyclo[6.1.0]nona-2,4,6-triene?
The IUPAC name of (1S,8S)-9,9-dimethylbicyclo[6.1.0]nona-2,4,6-triene (CID 71408761) is (1S,8S)-9,9-dimethylbicyclo[6.1.0]nona-2,4,6-triene.
What is the SMILES notation for (1S,8S)-9,9-dimethylbicyclo[6.1.0]nona-2,4,6-triene?
The canonical SMILES for (1S,8S)-9,9-dimethylbicyclo[6.1.0]nona-2,4,6-triene is CC1(C)[C@H]2C=CC=CC=C[C@@H]21.
What is the InChIKey of (1S,8S)-9,9-dimethylbicyclo[6.1.0]nona-2,4,6-triene?
The InChIKey is KEJMCDIIYHPJOW-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H14/c1-11(2)9-7-5-3-4-6-8-10(9)11/h3-10H,1-2H3/t9-,10-/m0/s1.
What are the key properties of (1S,8S)-9,9-dimethylbicyclo[6.1.0]nona-2,4,6-triene?
(1S,8S)-9,9-dimethylbicyclo[6.1.0]nona-2,4,6-triene has a molecular weight of 146.23 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8S)-9,9-dimethylbicyclo[6.1.0]nona-2,4,6-triene is sourced from PubChem (CID 71408761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).