methyl tricyclo[4.2.2.01,6]decane-7-carboxylate

C12H18O2 — CID 12702214

IUPACmethyl tricyclo[4.2.2.01,6]decane-7-carboxylate
SMILESCOC(=O)C1CC23CCCCC12CC3
InChIInChI=1S/C12H18O2/c1-14-10(13)9-8-11-4-2-3-5-12(9,11)7-6-11/h9H,2-8H2,1H3
InChIKeyUXKSCUUGABLADK-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.52
Rot. Bonds1

About methyl tricyclo[4.2.2.01,6]decane-7-carboxylate

methyl tricyclo[4.2.2.01,6]decane-7-carboxylate (PubChem CID 12702214) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is methyl tricyclo[4.2.2.01,6]decane-7-carboxylate.

Molecular Properties

Compound Namemethyl tricyclo[4.2.2.01,6]decane-7-carboxylate
PubChem CID12702214
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Namemethyl tricyclo[4.2.2.01,6]decane-7-carboxylate
SMILESCOC(=O)C1CC23CCCCC12CC3
InChIInChI=1S/C12H18O2/c1-14-10(13)9-8-11-4-2-3-5-12(9,11)7-6-11/h9H,2-8H2,1H3
InChIKeyUXKSCUUGABLADK-UHFFFAOYSA-N
XLogP2.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 511460
Methyl cubane-1-carboxylate
CID 13761783
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CID 4174112
methyl (4aR,4bR,8aS,8bR)-1-oxo-2,3,4,4b,5,6,7,8,8a,8b-decahydrobiphenylene-4a-carboxylate
CID 390962
6,6-Dimethylspiro[bicyclo[3.1.1]heptane-2,3'-oxetane]-2'-one
CID 123576182
(2) Dimethyl 2,3 Dimethylcubane-1,4-dicarboxylate
CID 139054421
methyl 1-[[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]methyl]cyclobutane-1-carboxylate
CID 162410101
Methyl 8-(tetracyclo[6.4.0.0(2,7).0(3,6)]dodec-10-yl)octanoate
CID 102256096
Methyl 1-oxo-2,3,4,4b,5,6,7,8,8a,8b-decahydrobiphenylene-4a-carboxylate
CID 496441
Methyl-1,5,5-Trimethylbicyclo[4.1.0]heptan-7-carboxylate A
CID 6429097
methyl (4aR,4bS,8aS,8bS)-4b-methyl-8-oxo-2,3,4,5,6,7,8a,8b-octahydro-1H-biphenylene-4a-carboxylate
CID 10490922
methyl (1S,2R,5S,6S)-6,8,8-trimethyl-10-oxotricyclo[4.4.0.02,5]decane-2-carboxylate
CID 102598419

Frequently Asked Questions

What is the IUPAC name of methyl tricyclo[4.2.2.01,6]decane-7-carboxylate?
The IUPAC name of methyl tricyclo[4.2.2.01,6]decane-7-carboxylate (CID 12702214) is methyl tricyclo[4.2.2.01,6]decane-7-carboxylate.
What is the SMILES notation for methyl tricyclo[4.2.2.01,6]decane-7-carboxylate?
The canonical SMILES for methyl tricyclo[4.2.2.01,6]decane-7-carboxylate is COC(=O)C1CC23CCCCC12CC3.
What is the InChIKey of methyl tricyclo[4.2.2.01,6]decane-7-carboxylate?
The InChIKey is UXKSCUUGABLADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-14-10(13)9-8-11-4-2-3-5-12(9,11)7-6-11/h9H,2-8H2,1H3.
What are the key properties of methyl tricyclo[4.2.2.01,6]decane-7-carboxylate?
methyl tricyclo[4.2.2.01,6]decane-7-carboxylate has a molecular weight of 194.27 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl tricyclo[4.2.2.01,6]decane-7-carboxylate is sourced from PubChem (CID 12702214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).