(3R)-3,4-dimethylbicyclo[3.1.0]hex-1(6)-ene

C8H12 — CID 163653956

IUPAC(3R)-3,4-dimethylbicyclo[3.1.0]hex-1(6)-ene
SMILESCC1C2C=C2C[C@H]1C
InChIInChI=1S/C8H12/c1-5-3-7-4-8(7)6(5)2/h4-6,8H,3H2,1-2H3/t5-,6?,8?/m1/s1
InChIKeyIOOXMGDEWBYEPN-SDUJUNFKSA-N
MW108.18 g/mol
LogP2.22
Rot. Bonds

About (3R)-3,4-dimethylbicyclo[3.1.0]hex-1(6)-ene

(3R)-3,4-dimethylbicyclo[3.1.0]hex-1(6)-ene (PubChem CID 163653956) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is (3R)-3,4-dimethylbicyclo[3.1.0]hex-1(6)-ene.

Molecular Properties

Compound Name(3R)-3,4-dimethylbicyclo[3.1.0]hex-1(6)-ene
PubChem CID163653956
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name(3R)-3,4-dimethylbicyclo[3.1.0]hex-1(6)-ene
SMILESCC1C2C=C2C[C@H]1C
InChIInChI=1S/C8H12/c1-5-3-7-4-8(7)6(5)2/h4-6,8H,3H2,1-2H3/t5-,6?,8?/m1/s1
InChIKeyIOOXMGDEWBYEPN-SDUJUNFKSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.22
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 (3R)-3,4-dimethylbicyclo[3.1.0]hex-1(6)-ene?
The IUPAC name of (3R)-3,4-dimethylbicyclo[3.1.0]hex-1(6)-ene (CID 163653956) is (3R)-3,4-dimethylbicyclo[3.1.0]hex-1(6)-ene.
What is the SMILES notation for (3R)-3,4-dimethylbicyclo[3.1.0]hex-1(6)-ene?
The canonical SMILES for (3R)-3,4-dimethylbicyclo[3.1.0]hex-1(6)-ene is CC1C2C=C2C[C@H]1C.
What is the InChIKey of (3R)-3,4-dimethylbicyclo[3.1.0]hex-1(6)-ene?
The InChIKey is IOOXMGDEWBYEPN-SDUJUNFKSA-N. The full InChI is InChI=1S/C8H12/c1-5-3-7-4-8(7)6(5)2/h4-6,8H,3H2,1-2H3/t5-,6?,8?/m1/s1.
What are the key properties of (3R)-3,4-dimethylbicyclo[3.1.0]hex-1(6)-ene?
(3R)-3,4-dimethylbicyclo[3.1.0]hex-1(6)-ene has a molecular weight of 108.18 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,4-dimethylbicyclo[3.1.0]hex-1(6)-ene is sourced from PubChem (CID 163653956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).