2,3,3,7-tetramethyltricyclo[5.4.0.02,9]undecan-8-one

C15H24O — CID 91747202

IUPAC2,3,3,7-tetramethyltricyclo[5.4.0.02,9]undecan-8-one
SMILESCC12CCCC(C)(C)C3(C)C(CCC13)C2=O
InChIInChI=1S/C15H24O/c1-13(2)8-5-9-14(3)11-7-6-10(12(14)16)15(11,13)4/h10-11H,5-9H2,1-4H3
InChIKeyVMYWIJUHQAMXNC-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.82
Rot. Bonds

About 2,3,3,7-tetramethyltricyclo[5.4.0.02,9]undecan-8-one

2,3,3,7-tetramethyltricyclo[5.4.0.02,9]undecan-8-one (PubChem CID 91747202) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2,3,3,7-tetramethyltricyclo[5.4.0.02,9]undecan-8-one.

Molecular Properties

Compound Name2,3,3,7-tetramethyltricyclo[5.4.0.02,9]undecan-8-one
PubChem CID91747202
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2,3,3,7-tetramethyltricyclo[5.4.0.02,9]undecan-8-one
SMILESCC12CCCC(C)(C)C3(C)C(CCC13)C2=O
InChIInChI=1S/C15H24O/c1-13(2)8-5-9-14(3)11-7-6-10(12(14)16)15(11,13)4/h10-11H,5-9H2,1-4H3
InChIKeyVMYWIJUHQAMXNC-UHFFFAOYSA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,7-tetramethyltricyclo[5.4.0.02,9]undecan-8-one?
The IUPAC name of 2,3,3,7-tetramethyltricyclo[5.4.0.02,9]undecan-8-one (CID 91747202) is 2,3,3,7-tetramethyltricyclo[5.4.0.02,9]undecan-8-one.
What is the SMILES notation for 2,3,3,7-tetramethyltricyclo[5.4.0.02,9]undecan-8-one?
The canonical SMILES for 2,3,3,7-tetramethyltricyclo[5.4.0.02,9]undecan-8-one is CC12CCCC(C)(C)C3(C)C(CCC13)C2=O.
What is the InChIKey of 2,3,3,7-tetramethyltricyclo[5.4.0.02,9]undecan-8-one?
The InChIKey is VMYWIJUHQAMXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-13(2)8-5-9-14(3)11-7-6-10(12(14)16)15(11,13)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 2,3,3,7-tetramethyltricyclo[5.4.0.02,9]undecan-8-one?
2,3,3,7-tetramethyltricyclo[5.4.0.02,9]undecan-8-one has a molecular weight of 220.36 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,7-tetramethyltricyclo[5.4.0.02,9]undecan-8-one is sourced from PubChem (CID 91747202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).