1-(3,3-dimethyl-8-tricyclo[4.3.0.02,9]nonanyl)ethanone

C13H20O — CID 123978139

IUPAC1-(3,3-dimethyl-8-tricyclo[4.3.0.02,9]nonanyl)ethanone
SMILESCC(=O)C1CC2CCC(C)(C)C3C2C13
InChIInChI=1S/C13H20O/c1-7(14)9-6-8-4-5-13(2,3)12-10(8)11(9)12/h8-12H,4-6H2,1-3H3
InChIKeyVVHXBAWQFWEOQK-UHFFFAOYSA-N
MW192.30 g/mol
LogP2.89
Rot. Bonds1

About 1-(3,3-dimethyl-8-tricyclo[4.3.0.02,9]nonanyl)ethanone

1-(3,3-dimethyl-8-tricyclo[4.3.0.02,9]nonanyl)ethanone (PubChem CID 123978139) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-(3,3-dimethyl-8-tricyclo[4.3.0.02,9]nonanyl)ethanone.

Molecular Properties

Compound Name1-(3,3-dimethyl-8-tricyclo[4.3.0.02,9]nonanyl)ethanone
PubChem CID123978139
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-(3,3-dimethyl-8-tricyclo[4.3.0.02,9]nonanyl)ethanone
SMILESCC(=O)C1CC2CCC(C)(C)C3C2C13
InChIInChI=1S/C13H20O/c1-7(14)9-6-8-4-5-13(2,3)12-10(8)11(9)12/h8-12H,4-6H2,1-3H3
InChIKeyVVHXBAWQFWEOQK-UHFFFAOYSA-N
XLogP2.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethyl-8-tricyclo[4.3.0.02,9]nonanyl)ethanone?
The IUPAC name of 1-(3,3-dimethyl-8-tricyclo[4.3.0.02,9]nonanyl)ethanone (CID 123978139) is 1-(3,3-dimethyl-8-tricyclo[4.3.0.02,9]nonanyl)ethanone.
What is the SMILES notation for 1-(3,3-dimethyl-8-tricyclo[4.3.0.02,9]nonanyl)ethanone?
The canonical SMILES for 1-(3,3-dimethyl-8-tricyclo[4.3.0.02,9]nonanyl)ethanone is CC(=O)C1CC2CCC(C)(C)C3C2C13.
What is the InChIKey of 1-(3,3-dimethyl-8-tricyclo[4.3.0.02,9]nonanyl)ethanone?
The InChIKey is VVHXBAWQFWEOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-7(14)9-6-8-4-5-13(2,3)12-10(8)11(9)12/h8-12H,4-6H2,1-3H3.
What are the key properties of 1-(3,3-dimethyl-8-tricyclo[4.3.0.02,9]nonanyl)ethanone?
1-(3,3-dimethyl-8-tricyclo[4.3.0.02,9]nonanyl)ethanone has a molecular weight of 192.30 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethyl-8-tricyclo[4.3.0.02,9]nonanyl)ethanone is sourced from PubChem (CID 123978139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).