6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxylic acid

C11H16O3 — CID 2770465

IUPAC6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxylic acid
SMILESCC12COC3(C(=O)O)CC1CCC32C
InChIInChI=1S/C11H16O3/c1-9-6-14-11(8(12)13)5-7(9)3-4-10(9,11)2/h7H,3-6H2,1-2H3,(H,12,13)
InChIKeyRTPVZSXBXIHRFM-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.67
Rot. Bonds1

About 6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxylic acid

6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxylic acid (PubChem CID 2770465) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxylic acid.

Molecular Properties

Compound Name6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxylic acid
PubChem CID2770465
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxylic acid
SMILESCC12COC3(C(=O)O)CC1CCC32C
InChIInChI=1S/C11H16O3/c1-9-6-14-11(8(12)13)5-7(9)3-4-10(9,11)2/h7H,3-6H2,1-2H3,(H,12,13)
InChIKeyRTPVZSXBXIHRFM-UHFFFAOYSA-N
XLogP1.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxylic acid?
The IUPAC name of 6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxylic acid (CID 2770465) is 6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxylic acid.
What is the SMILES notation for 6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxylic acid?
The canonical SMILES for 6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxylic acid is CC12COC3(C(=O)O)CC1CCC32C.
What is the InChIKey of 6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxylic acid?
The InChIKey is RTPVZSXBXIHRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-9-6-14-11(8(12)13)5-7(9)3-4-10(9,11)2/h7H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxylic acid?
6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxylic acid has a molecular weight of 196.25 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxylic acid is sourced from PubChem (CID 2770465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).