5-(2-methoxy-2-methylpropyl)-2,3-dimethylbicyclo[2.2.1]heptane

C14H26O — CID 59120149

IUPAC5-(2-methoxy-2-methylpropyl)-2,3-dimethylbicyclo[2.2.1]heptane
SMILESCOC(C)(C)CC1CC2CC1C(C)C2C
InChIInChI=1S/C14H26O/c1-9-10(2)13-7-11(9)6-12(13)8-14(3,4)15-5/h9-13H,6-8H2,1-5H3
InChIKeyIVFITYMUAAPAHP-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.73
Rot. Bonds3

About 5-(2-methoxy-2-methylpropyl)-2,3-dimethylbicyclo[2.2.1]heptane

5-(2-methoxy-2-methylpropyl)-2,3-dimethylbicyclo[2.2.1]heptane (PubChem CID 59120149) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 5-(2-methoxy-2-methylpropyl)-2,3-dimethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name5-(2-methoxy-2-methylpropyl)-2,3-dimethylbicyclo[2.2.1]heptane
PubChem CID59120149
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name5-(2-methoxy-2-methylpropyl)-2,3-dimethylbicyclo[2.2.1]heptane
SMILESCOC(C)(C)CC1CC2CC1C(C)C2C
InChIInChI=1S/C14H26O/c1-9-10(2)13-7-11(9)6-12(13)8-14(3,4)15-5/h9-13H,6-8H2,1-5H3
InChIKeyIVFITYMUAAPAHP-UHFFFAOYSA-N
XLogP3.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-2-methylpropyl)-2,3-dimethylbicyclo[2.2.1]heptane?
The IUPAC name of 5-(2-methoxy-2-methylpropyl)-2,3-dimethylbicyclo[2.2.1]heptane (CID 59120149) is 5-(2-methoxy-2-methylpropyl)-2,3-dimethylbicyclo[2.2.1]heptane.
What is the SMILES notation for 5-(2-methoxy-2-methylpropyl)-2,3-dimethylbicyclo[2.2.1]heptane?
The canonical SMILES for 5-(2-methoxy-2-methylpropyl)-2,3-dimethylbicyclo[2.2.1]heptane is COC(C)(C)CC1CC2CC1C(C)C2C.
What is the InChIKey of 5-(2-methoxy-2-methylpropyl)-2,3-dimethylbicyclo[2.2.1]heptane?
The InChIKey is IVFITYMUAAPAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-9-10(2)13-7-11(9)6-12(13)8-14(3,4)15-5/h9-13H,6-8H2,1-5H3.
What are the key properties of 5-(2-methoxy-2-methylpropyl)-2,3-dimethylbicyclo[2.2.1]heptane?
5-(2-methoxy-2-methylpropyl)-2,3-dimethylbicyclo[2.2.1]heptane has a molecular weight of 210.36 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-2-methylpropyl)-2,3-dimethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 59120149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).