(6S,7S)-6,7-dimethylbicyclo[3.2.0]hept-1(5)-ene

C9H14 — CID 71413448

IUPAC(6S,7S)-6,7-dimethylbicyclo[3.2.0]hept-1(5)-ene
SMILESC[C@@H]1C2=C(CCC2)[C@H]1C
InChIInChI=1S/C9H14/c1-6-7(2)9-5-3-4-8(6)9/h6-7H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyPEVJKSXXDGFJKM-BQBZGAKWSA-N
MW122.21 g/mol
LogP2.75
Rot. Bonds

About (6S,7S)-6,7-dimethylbicyclo[3.2.0]hept-1(5)-ene

(6S,7S)-6,7-dimethylbicyclo[3.2.0]hept-1(5)-ene (PubChem CID 71413448) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is (6S,7S)-6,7-dimethylbicyclo[3.2.0]hept-1(5)-ene.

Molecular Properties

Compound Name(6S,7S)-6,7-dimethylbicyclo[3.2.0]hept-1(5)-ene
PubChem CID71413448
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name(6S,7S)-6,7-dimethylbicyclo[3.2.0]hept-1(5)-ene
SMILESC[C@@H]1C2=C(CCC2)[C@H]1C
InChIInChI=1S/C9H14/c1-6-7(2)9-5-3-4-8(6)9/h6-7H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyPEVJKSXXDGFJKM-BQBZGAKWSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6S,7S)-6,7-dimethylbicyclo[3.2.0]hept-1(5)-ene?
The IUPAC name of (6S,7S)-6,7-dimethylbicyclo[3.2.0]hept-1(5)-ene (CID 71413448) is (6S,7S)-6,7-dimethylbicyclo[3.2.0]hept-1(5)-ene.
What is the SMILES notation for (6S,7S)-6,7-dimethylbicyclo[3.2.0]hept-1(5)-ene?
The canonical SMILES for (6S,7S)-6,7-dimethylbicyclo[3.2.0]hept-1(5)-ene is C[C@@H]1C2=C(CCC2)[C@H]1C.
What is the InChIKey of (6S,7S)-6,7-dimethylbicyclo[3.2.0]hept-1(5)-ene?
The InChIKey is PEVJKSXXDGFJKM-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H14/c1-6-7(2)9-5-3-4-8(6)9/h6-7H,3-5H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of (6S,7S)-6,7-dimethylbicyclo[3.2.0]hept-1(5)-ene?
(6S,7S)-6,7-dimethylbicyclo[3.2.0]hept-1(5)-ene has a molecular weight of 122.21 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S)-6,7-dimethylbicyclo[3.2.0]hept-1(5)-ene is sourced from PubChem (CID 71413448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).