(1R,4S,6S)-1,2,3,4,5,6-hexamethylbicyclo[3.1.0]hex-2-ene

C12H20 — CID 98522466

IUPAC(1R,4S,6S)-1,2,3,4,5,6-hexamethylbicyclo[3.1.0]hex-2-ene
SMILESCC1=C(C)[C@]2(C)[C@@H](C)[C@]2(C)[C@H]1C
InChIInChI=1S/C12H20/c1-7-8(2)11(5)10(4)12(11,6)9(7)3/h8,10H,1-6H3/t8-,10-,11-,12+/m0/s1
InChIKeyKNCZOPCAYGJOPY-PDEGPIFNSA-N
MW164.29 g/mol
LogP3.63
Rot. Bonds

About (1R,4S,6S)-1,2,3,4,5,6-hexamethylbicyclo[3.1.0]hex-2-ene

(1R,4S,6S)-1,2,3,4,5,6-hexamethylbicyclo[3.1.0]hex-2-ene (PubChem CID 98522466) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is (1R,4S,6S)-1,2,3,4,5,6-hexamethylbicyclo[3.1.0]hex-2-ene.

Molecular Properties

Compound Name(1R,4S,6S)-1,2,3,4,5,6-hexamethylbicyclo[3.1.0]hex-2-ene
PubChem CID98522466
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name(1R,4S,6S)-1,2,3,4,5,6-hexamethylbicyclo[3.1.0]hex-2-ene
SMILESCC1=C(C)[C@]2(C)[C@@H](C)[C@]2(C)[C@H]1C
InChIInChI=1S/C12H20/c1-7-8(2)11(5)10(4)12(11,6)9(7)3/h8,10H,1-6H3/t8-,10-,11-,12+/m0/s1
InChIKeyKNCZOPCAYGJOPY-PDEGPIFNSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.63
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 (1R,4S,6S)-1,2,3,4,5,6-hexamethylbicyclo[3.1.0]hex-2-ene?
The IUPAC name of (1R,4S,6S)-1,2,3,4,5,6-hexamethylbicyclo[3.1.0]hex-2-ene (CID 98522466) is (1R,4S,6S)-1,2,3,4,5,6-hexamethylbicyclo[3.1.0]hex-2-ene.
What is the SMILES notation for (1R,4S,6S)-1,2,3,4,5,6-hexamethylbicyclo[3.1.0]hex-2-ene?
The canonical SMILES for (1R,4S,6S)-1,2,3,4,5,6-hexamethylbicyclo[3.1.0]hex-2-ene is CC1=C(C)[C@]2(C)[C@@H](C)[C@]2(C)[C@H]1C.
What is the InChIKey of (1R,4S,6S)-1,2,3,4,5,6-hexamethylbicyclo[3.1.0]hex-2-ene?
The InChIKey is KNCZOPCAYGJOPY-PDEGPIFNSA-N. The full InChI is InChI=1S/C12H20/c1-7-8(2)11(5)10(4)12(11,6)9(7)3/h8,10H,1-6H3/t8-,10-,11-,12+/m0/s1.
What are the key properties of (1R,4S,6S)-1,2,3,4,5,6-hexamethylbicyclo[3.1.0]hex-2-ene?
(1R,4S,6S)-1,2,3,4,5,6-hexamethylbicyclo[3.1.0]hex-2-ene has a molecular weight of 164.29 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,6S)-1,2,3,4,5,6-hexamethylbicyclo[3.1.0]hex-2-ene is sourced from PubChem (CID 98522466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).