2,7-dimethylidenetetraspiro[2.0.0.0.26.15.14.13]undecane

C13H14 — CID 134900847

IUPAC2,7-dimethylidenetetraspiro[2.0.0.0.26.15.14.13]undecane
SMILESC=C1CC12CC21CC12CC21CC1=C
InChIInChI=1S/C13H14/c1-8-3-10(8)5-12(10)7-13(12)6-11(13)4-9(11)2/h1-7H2
InChIKeyGMLSQKMMMLOXCS-UHFFFAOYSA-N
MW170.25 g/mol
LogP3.06
Rot. Bonds

About 2,7-dimethylidenetetraspiro[2.0.0.0.26.15.14.13]undecane

2,7-dimethylidenetetraspiro[2.0.0.0.26.15.14.13]undecane (PubChem CID 134900847) has the molecular formula C13H14 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2,7-dimethylidenetetraspiro[2.0.0.0.26.15.14.13]undecane.

Molecular Properties

Compound Name2,7-dimethylidenetetraspiro[2.0.0.0.26.15.14.13]undecane
PubChem CID134900847
Molecular FormulaC13H14
Molecular Weight170.25 g/mol
Exact Mass170.11
IUPAC Name2,7-dimethylidenetetraspiro[2.0.0.0.26.15.14.13]undecane
SMILESC=C1CC12CC21CC12CC21CC1=C
InChIInChI=1S/C13H14/c1-8-3-10(8)5-12(10)7-13(12)6-11(13)4-9(11)2/h1-7H2
InChIKeyGMLSQKMMMLOXCS-UHFFFAOYSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 53.06
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 2,7-dimethylidenetetraspiro[2.0.0.0.26.15.14.13]undecane?
The IUPAC name of 2,7-dimethylidenetetraspiro[2.0.0.0.26.15.14.13]undecane (CID 134900847) is 2,7-dimethylidenetetraspiro[2.0.0.0.26.15.14.13]undecane.
What is the SMILES notation for 2,7-dimethylidenetetraspiro[2.0.0.0.26.15.14.13]undecane?
The canonical SMILES for 2,7-dimethylidenetetraspiro[2.0.0.0.26.15.14.13]undecane is C=C1CC12CC21CC12CC21CC1=C.
What is the InChIKey of 2,7-dimethylidenetetraspiro[2.0.0.0.26.15.14.13]undecane?
The InChIKey is GMLSQKMMMLOXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14/c1-8-3-10(8)5-12(10)7-13(12)6-11(13)4-9(11)2/h1-7H2.
What are the key properties of 2,7-dimethylidenetetraspiro[2.0.0.0.26.15.14.13]undecane?
2,7-dimethylidenetetraspiro[2.0.0.0.26.15.14.13]undecane has a molecular weight of 170.25 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethylidenetetraspiro[2.0.0.0.26.15.14.13]undecane is sourced from PubChem (CID 134900847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).