(2R,5S)-2,6-dimethyltricyclo[3.2.0.02,6]heptane-1-carboxylate

C10H13O2- — CID 23310014

IUPAC(2R,5S)-2,6-dimethyltricyclo[3.2.0.02,6]heptane-1-carboxylate
SMILESCC12CC3(C(=O)[O-])[C@H]1CC[C@]23C
InChIInChI=1S/C10H14O2/c1-8-5-10(7(11)12)6(8)3-4-9(8,10)2/h6H,3-5H2,1-2H3,(H,11,12)/p-1/t6-,8?,9+,10?/m0/s1
InChIKeyYQUBGLJXIFMPSV-XYEBZWLMSA-M
MW165.21 g/mol
LogP0.56
Rot. Bonds1

About (2R,5S)-2,6-dimethyltricyclo[3.2.0.02,6]heptane-1-carboxylate

(2R,5S)-2,6-dimethyltricyclo[3.2.0.02,6]heptane-1-carboxylate (PubChem CID 23310014) has the molecular formula C10H13O2- and a molecular weight of 165.21 g/mol. Its IUPAC name is (2R,5S)-2,6-dimethyltricyclo[3.2.0.02,6]heptane-1-carboxylate.

Molecular Properties

Compound Name(2R,5S)-2,6-dimethyltricyclo[3.2.0.02,6]heptane-1-carboxylate
PubChem CID23310014
Molecular FormulaC10H13O2-
Molecular Weight165.21 g/mol
Exact Mass165.09
IUPAC Name(2R,5S)-2,6-dimethyltricyclo[3.2.0.02,6]heptane-1-carboxylate
SMILESCC12CC3(C(=O)[O-])[C@H]1CC[C@]23C
InChIInChI=1S/C10H14O2/c1-8-5-10(7(11)12)6(8)3-4-9(8,10)2/h6H,3-5H2,1-2H3,(H,11,12)/p-1/t6-,8?,9+,10?/m0/s1
InChIKeyYQUBGLJXIFMPSV-XYEBZWLMSA-M
XLogP0.56
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2,6-dimethyltricyclo[3.2.0.02,6]heptane-1-carboxylate?
The IUPAC name of (2R,5S)-2,6-dimethyltricyclo[3.2.0.02,6]heptane-1-carboxylate (CID 23310014) is (2R,5S)-2,6-dimethyltricyclo[3.2.0.02,6]heptane-1-carboxylate.
What is the SMILES notation for (2R,5S)-2,6-dimethyltricyclo[3.2.0.02,6]heptane-1-carboxylate?
The canonical SMILES for (2R,5S)-2,6-dimethyltricyclo[3.2.0.02,6]heptane-1-carboxylate is CC12CC3(C(=O)[O-])[C@H]1CC[C@]23C.
What is the InChIKey of (2R,5S)-2,6-dimethyltricyclo[3.2.0.02,6]heptane-1-carboxylate?
The InChIKey is YQUBGLJXIFMPSV-XYEBZWLMSA-M. The full InChI is InChI=1S/C10H14O2/c1-8-5-10(7(11)12)6(8)3-4-9(8,10)2/h6H,3-5H2,1-2H3,(H,11,12)/p-1/t6-,8?,9+,10?/m0/s1.
What are the key properties of (2R,5S)-2,6-dimethyltricyclo[3.2.0.02,6]heptane-1-carboxylate?
(2R,5S)-2,6-dimethyltricyclo[3.2.0.02,6]heptane-1-carboxylate has a molecular weight of 165.21 g/mol, XLogP of 0.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2,6-dimethyltricyclo[3.2.0.02,6]heptane-1-carboxylate is sourced from PubChem (CID 23310014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).