4,4,5,5-tetramethyltricyclo[5.1.0.01,3]octane

C12H20 — CID 18711520

IUPAC4,4,5,5-tetramethyltricyclo[5.1.0.01,3]octane
SMILESCC1(C)CC2CC23CC3C1(C)C
InChIInChI=1S/C12H20/c1-10(2)5-8-6-12(8)7-9(12)11(10,3)4/h8-9H,5-7H2,1-4H3
InChIKeyKRKZXGDMERNRHK-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.47
Rot. Bonds

About 4,4,5,5-tetramethyltricyclo[5.1.0.01,3]octane

4,4,5,5-tetramethyltricyclo[5.1.0.01,3]octane (PubChem CID 18711520) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 4,4,5,5-tetramethyltricyclo[5.1.0.01,3]octane.

Molecular Properties

Compound Name4,4,5,5-tetramethyltricyclo[5.1.0.01,3]octane
PubChem CID18711520
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name4,4,5,5-tetramethyltricyclo[5.1.0.01,3]octane
SMILESCC1(C)CC2CC23CC3C1(C)C
InChIInChI=1S/C12H20/c1-10(2)5-8-6-12(8)7-9(12)11(10,3)4/h8-9H,5-7H2,1-4H3
InChIKeyKRKZXGDMERNRHK-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyltricyclo[5.1.0.01,3]octane?
The IUPAC name of 4,4,5,5-tetramethyltricyclo[5.1.0.01,3]octane (CID 18711520) is 4,4,5,5-tetramethyltricyclo[5.1.0.01,3]octane.
What is the SMILES notation for 4,4,5,5-tetramethyltricyclo[5.1.0.01,3]octane?
The canonical SMILES for 4,4,5,5-tetramethyltricyclo[5.1.0.01,3]octane is CC1(C)CC2CC23CC3C1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyltricyclo[5.1.0.01,3]octane?
The InChIKey is KRKZXGDMERNRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-10(2)5-8-6-12(8)7-9(12)11(10,3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 4,4,5,5-tetramethyltricyclo[5.1.0.01,3]octane?
4,4,5,5-tetramethyltricyclo[5.1.0.01,3]octane has a molecular weight of 164.29 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyltricyclo[5.1.0.01,3]octane is sourced from PubChem (CID 18711520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).