6-but-1-enyl-5,8-dimethylbicyclo[5.1.0]oct-2-ene

C14H22 — CID 123623400

IUPAC6-but-1-enyl-5,8-dimethylbicyclo[5.1.0]oct-2-ene
SMILESCCC=CC1C(C)CC=CC2C(C)C12
InChIInChI=1S/C14H22/c1-4-5-8-12-10(2)7-6-9-13-11(3)14(12)13/h5-6,8-14H,4,7H2,1-3H3
InChIKeyXSKXGBHFARTICX-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.05
Rot. Bonds2

About 6-but-1-enyl-5,8-dimethylbicyclo[5.1.0]oct-2-ene

6-but-1-enyl-5,8-dimethylbicyclo[5.1.0]oct-2-ene (PubChem CID 123623400) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 6-but-1-enyl-5,8-dimethylbicyclo[5.1.0]oct-2-ene.

Molecular Properties

Compound Name6-but-1-enyl-5,8-dimethylbicyclo[5.1.0]oct-2-ene
PubChem CID123623400
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name6-but-1-enyl-5,8-dimethylbicyclo[5.1.0]oct-2-ene
SMILESCCC=CC1C(C)CC=CC2C(C)C12
InChIInChI=1S/C14H22/c1-4-5-8-12-10(2)7-6-9-13-11(3)14(12)13/h5-6,8-14H,4,7H2,1-3H3
InChIKeyXSKXGBHFARTICX-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.05
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 6-but-1-enyl-5,8-dimethylbicyclo[5.1.0]oct-2-ene?
The IUPAC name of 6-but-1-enyl-5,8-dimethylbicyclo[5.1.0]oct-2-ene (CID 123623400) is 6-but-1-enyl-5,8-dimethylbicyclo[5.1.0]oct-2-ene.
What is the SMILES notation for 6-but-1-enyl-5,8-dimethylbicyclo[5.1.0]oct-2-ene?
The canonical SMILES for 6-but-1-enyl-5,8-dimethylbicyclo[5.1.0]oct-2-ene is CCC=CC1C(C)CC=CC2C(C)C12.
What is the InChIKey of 6-but-1-enyl-5,8-dimethylbicyclo[5.1.0]oct-2-ene?
The InChIKey is XSKXGBHFARTICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-4-5-8-12-10(2)7-6-9-13-11(3)14(12)13/h5-6,8-14H,4,7H2,1-3H3.
What are the key properties of 6-but-1-enyl-5,8-dimethylbicyclo[5.1.0]oct-2-ene?
6-but-1-enyl-5,8-dimethylbicyclo[5.1.0]oct-2-ene has a molecular weight of 190.33 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-1-enyl-5,8-dimethylbicyclo[5.1.0]oct-2-ene is sourced from PubChem (CID 123623400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).