4,9,9-trimethyltricyclo[5.3.1.02,6]undecane

C14H24 — CID 142004416

IUPAC4,9,9-trimethyltricyclo[5.3.1.02,6]undecane
SMILESCC1CC2C3CC(CC(C)(C)C3)C2C1
InChIInChI=1S/C14H24/c1-9-4-12-10-6-11(13(12)5-9)8-14(2,3)7-10/h9-13H,4-8H2,1-3H3
InChIKeyBLTGVPGVTKZUJU-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.10
Rot. Bonds

About 4,9,9-trimethyltricyclo[5.3.1.02,6]undecane

4,9,9-trimethyltricyclo[5.3.1.02,6]undecane (PubChem CID 142004416) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 4,9,9-trimethyltricyclo[5.3.1.02,6]undecane.

Molecular Properties

Compound Name4,9,9-trimethyltricyclo[5.3.1.02,6]undecane
PubChem CID142004416
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name4,9,9-trimethyltricyclo[5.3.1.02,6]undecane
SMILESCC1CC2C3CC(CC(C)(C)C3)C2C1
InChIInChI=1S/C14H24/c1-9-4-12-10-6-11(13(12)5-9)8-14(2,3)7-10/h9-13H,4-8H2,1-3H3
InChIKeyBLTGVPGVTKZUJU-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4,9,9-trimethyltricyclo[5.3.1.02,6]undecane?
The IUPAC name of 4,9,9-trimethyltricyclo[5.3.1.02,6]undecane (CID 142004416) is 4,9,9-trimethyltricyclo[5.3.1.02,6]undecane.
What is the SMILES notation for 4,9,9-trimethyltricyclo[5.3.1.02,6]undecane?
The canonical SMILES for 4,9,9-trimethyltricyclo[5.3.1.02,6]undecane is CC1CC2C3CC(CC(C)(C)C3)C2C1.
What is the InChIKey of 4,9,9-trimethyltricyclo[5.3.1.02,6]undecane?
The InChIKey is BLTGVPGVTKZUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-9-4-12-10-6-11(13(12)5-9)8-14(2,3)7-10/h9-13H,4-8H2,1-3H3.
What are the key properties of 4,9,9-trimethyltricyclo[5.3.1.02,6]undecane?
4,9,9-trimethyltricyclo[5.3.1.02,6]undecane has a molecular weight of 192.35 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9,9-trimethyltricyclo[5.3.1.02,6]undecane is sourced from PubChem (CID 142004416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).