1-(6-tricyclo[3.2.2.02,4]nonanyl)propan-1-one

C12H18O — CID 130328885

IUPAC1-(6-tricyclo[3.2.2.02,4]nonanyl)propan-1-one
SMILESCCC(=O)C1CC2CCC1C1CC21
InChIInChI=1S/C12H18O/c1-2-12(13)11-5-7-3-4-8(11)10-6-9(7)10/h7-11H,2-6H2,1H3
InChIKeyNUGLSRQCRNVXDP-UHFFFAOYSA-N
MW178.27 g/mol
LogP2.65
Rot. Bonds2

About 1-(6-tricyclo[3.2.2.02,4]nonanyl)propan-1-one

1-(6-tricyclo[3.2.2.02,4]nonanyl)propan-1-one (PubChem CID 130328885) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 1-(6-tricyclo[3.2.2.02,4]nonanyl)propan-1-one.

Molecular Properties

Compound Name1-(6-tricyclo[3.2.2.02,4]nonanyl)propan-1-one
PubChem CID130328885
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name1-(6-tricyclo[3.2.2.02,4]nonanyl)propan-1-one
SMILESCCC(=O)C1CC2CCC1C1CC21
InChIInChI=1S/C12H18O/c1-2-12(13)11-5-7-3-4-8(11)10-6-9(7)10/h7-11H,2-6H2,1H3
InChIKeyNUGLSRQCRNVXDP-UHFFFAOYSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(6-tricyclo[3.2.2.02,4]nonanyl)propan-1-one?
The IUPAC name of 1-(6-tricyclo[3.2.2.02,4]nonanyl)propan-1-one (CID 130328885) is 1-(6-tricyclo[3.2.2.02,4]nonanyl)propan-1-one.
What is the SMILES notation for 1-(6-tricyclo[3.2.2.02,4]nonanyl)propan-1-one?
The canonical SMILES for 1-(6-tricyclo[3.2.2.02,4]nonanyl)propan-1-one is CCC(=O)C1CC2CCC1C1CC21.
What is the InChIKey of 1-(6-tricyclo[3.2.2.02,4]nonanyl)propan-1-one?
The InChIKey is NUGLSRQCRNVXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-2-12(13)11-5-7-3-4-8(11)10-6-9(7)10/h7-11H,2-6H2,1H3.
What are the key properties of 1-(6-tricyclo[3.2.2.02,4]nonanyl)propan-1-one?
1-(6-tricyclo[3.2.2.02,4]nonanyl)propan-1-one has a molecular weight of 178.27 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-tricyclo[3.2.2.02,4]nonanyl)propan-1-one is sourced from PubChem (CID 130328885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).