2,3,4,5-tetramethyl-6-methylidenebicyclo[5.1.0]octane

C13H22 — CID 123221724

IUPAC2,3,4,5-tetramethyl-6-methylidenebicyclo[5.1.0]octane
SMILESC=C1C(C)C(C)C(C)C(C)C2CC12
InChIInChI=1S/C13H22/c1-7-8(2)10(4)12-6-13(12)11(5)9(7)3/h7-9,11-13H,4,6H2,1-3,5H3
InChIKeyNDYKDYAOGZNIIM-UHFFFAOYSA-N
MW178.32 g/mol
LogP3.74
Rot. Bonds

About 2,3,4,5-tetramethyl-6-methylidenebicyclo[5.1.0]octane

2,3,4,5-tetramethyl-6-methylidenebicyclo[5.1.0]octane (PubChem CID 123221724) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 2,3,4,5-tetramethyl-6-methylidenebicyclo[5.1.0]octane.

Molecular Properties

Compound Name2,3,4,5-tetramethyl-6-methylidenebicyclo[5.1.0]octane
PubChem CID123221724
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name2,3,4,5-tetramethyl-6-methylidenebicyclo[5.1.0]octane
SMILESC=C1C(C)C(C)C(C)C(C)C2CC12
InChIInChI=1S/C13H22/c1-7-8(2)10(4)12-6-13(12)11(5)9(7)3/h7-9,11-13H,4,6H2,1-3,5H3
InChIKeyNDYKDYAOGZNIIM-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 53.74
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 2,3,4,5-tetramethyl-6-methylidenebicyclo[5.1.0]octane?
The IUPAC name of 2,3,4,5-tetramethyl-6-methylidenebicyclo[5.1.0]octane (CID 123221724) is 2,3,4,5-tetramethyl-6-methylidenebicyclo[5.1.0]octane.
What is the SMILES notation for 2,3,4,5-tetramethyl-6-methylidenebicyclo[5.1.0]octane?
The canonical SMILES for 2,3,4,5-tetramethyl-6-methylidenebicyclo[5.1.0]octane is C=C1C(C)C(C)C(C)C(C)C2CC12.
What is the InChIKey of 2,3,4,5-tetramethyl-6-methylidenebicyclo[5.1.0]octane?
The InChIKey is NDYKDYAOGZNIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-7-8(2)10(4)12-6-13(12)11(5)9(7)3/h7-9,11-13H,4,6H2,1-3,5H3.
What are the key properties of 2,3,4,5-tetramethyl-6-methylidenebicyclo[5.1.0]octane?
2,3,4,5-tetramethyl-6-methylidenebicyclo[5.1.0]octane has a molecular weight of 178.32 g/mol, XLogP of 3.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetramethyl-6-methylidenebicyclo[5.1.0]octane is sourced from PubChem (CID 123221724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).