3,4,9,9-tetramethyltricyclo[6.1.1.02,6]decane

C14H24 — CID 123688869

IUPAC3,4,9,9-tetramethyltricyclo[6.1.1.02,6]decane
SMILESCC1CC2CC3CC(C2C1C)C3(C)C
InChIInChI=1S/C14H24/c1-8-5-10-6-11-7-12(14(11,3)4)13(10)9(8)2/h8-13H,5-7H2,1-4H3
InChIKeyXUJRGDPXFTXMDY-UHFFFAOYSA-N
MW192.35 g/mol
LogP3.96
Rot. Bonds

About 3,4,9,9-tetramethyltricyclo[6.1.1.02,6]decane

3,4,9,9-tetramethyltricyclo[6.1.1.02,6]decane (PubChem CID 123688869) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 3,4,9,9-tetramethyltricyclo[6.1.1.02,6]decane.

Molecular Properties

Compound Name3,4,9,9-tetramethyltricyclo[6.1.1.02,6]decane
PubChem CID123688869
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name3,4,9,9-tetramethyltricyclo[6.1.1.02,6]decane
SMILESCC1CC2CC3CC(C2C1C)C3(C)C
InChIInChI=1S/C14H24/c1-8-5-10-6-11-7-12(14(11,3)4)13(10)9(8)2/h8-13H,5-7H2,1-4H3
InChIKeyXUJRGDPXFTXMDY-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,4,9,9-tetramethyltricyclo[6.1.1.02,6]decane?
The IUPAC name of 3,4,9,9-tetramethyltricyclo[6.1.1.02,6]decane (CID 123688869) is 3,4,9,9-tetramethyltricyclo[6.1.1.02,6]decane.
What is the SMILES notation for 3,4,9,9-tetramethyltricyclo[6.1.1.02,6]decane?
The canonical SMILES for 3,4,9,9-tetramethyltricyclo[6.1.1.02,6]decane is CC1CC2CC3CC(C2C1C)C3(C)C.
What is the InChIKey of 3,4,9,9-tetramethyltricyclo[6.1.1.02,6]decane?
The InChIKey is XUJRGDPXFTXMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-8-5-10-6-11-7-12(14(11,3)4)13(10)9(8)2/h8-13H,5-7H2,1-4H3.
What are the key properties of 3,4,9,9-tetramethyltricyclo[6.1.1.02,6]decane?
3,4,9,9-tetramethyltricyclo[6.1.1.02,6]decane has a molecular weight of 192.35 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,9,9-tetramethyltricyclo[6.1.1.02,6]decane is sourced from PubChem (CID 123688869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).