7,7-dimethyl-1-(2-methylpropoxymethyl)bicyclo[2.2.1]heptan-2-one

C14H24O2 — CID 174300096

IUPAC7,7-dimethyl-1-(2-methylpropoxymethyl)bicyclo[2.2.1]heptan-2-one
SMILESCC(C)COCC12CCC(CC1=O)C2(C)C
InChIInChI=1S/C14H24O2/c1-10(2)8-16-9-14-6-5-11(7-12(14)15)13(14,3)4/h10-11H,5-9H2,1-4H3
InChIKeyUDSQCNMYMUCCGS-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.05
Rot. Bonds4

About 7,7-dimethyl-1-(2-methylpropoxymethyl)bicyclo[2.2.1]heptan-2-one

7,7-dimethyl-1-(2-methylpropoxymethyl)bicyclo[2.2.1]heptan-2-one (PubChem CID 174300096) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 7,7-dimethyl-1-(2-methylpropoxymethyl)bicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name7,7-dimethyl-1-(2-methylpropoxymethyl)bicyclo[2.2.1]heptan-2-one
PubChem CID174300096
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name7,7-dimethyl-1-(2-methylpropoxymethyl)bicyclo[2.2.1]heptan-2-one
SMILESCC(C)COCC12CCC(CC1=O)C2(C)C
InChIInChI=1S/C14H24O2/c1-10(2)8-16-9-14-6-5-11(7-12(14)15)13(14,3)4/h10-11H,5-9H2,1-4H3
InChIKeyUDSQCNMYMUCCGS-UHFFFAOYSA-N
XLogP3.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-1-(2-methylpropoxymethyl)bicyclo[2.2.1]heptan-2-one?
The IUPAC name of 7,7-dimethyl-1-(2-methylpropoxymethyl)bicyclo[2.2.1]heptan-2-one (CID 174300096) is 7,7-dimethyl-1-(2-methylpropoxymethyl)bicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 7,7-dimethyl-1-(2-methylpropoxymethyl)bicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 7,7-dimethyl-1-(2-methylpropoxymethyl)bicyclo[2.2.1]heptan-2-one is CC(C)COCC12CCC(CC1=O)C2(C)C.
What is the InChIKey of 7,7-dimethyl-1-(2-methylpropoxymethyl)bicyclo[2.2.1]heptan-2-one?
The InChIKey is UDSQCNMYMUCCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-10(2)8-16-9-14-6-5-11(7-12(14)15)13(14,3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 7,7-dimethyl-1-(2-methylpropoxymethyl)bicyclo[2.2.1]heptan-2-one?
7,7-dimethyl-1-(2-methylpropoxymethyl)bicyclo[2.2.1]heptan-2-one has a molecular weight of 224.34 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-1-(2-methylpropoxymethyl)bicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 174300096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).