methyl 2-[6-(2-methoxy-2-oxoethyl)-3-tetracyclo[4.2.0.02,5.03,8]octanyl]acetate

C14H18O4 — CID 71193848

IUPACmethyl 2-[6-(2-methoxy-2-oxoethyl)-3-tetracyclo[4.2.0.02,5.03,8]octanyl]acetate
SMILESCOC(=O)CC12CC3C1C1C2CC31CC(=O)OC
InChIInChI=1S/C14H18O4/c1-17-9(15)5-13-3-8-11(13)12-7(13)4-14(8,12)6-10(16)18-2/h7-8,11-12H,3-6H2,1-2H3
InChIKeyZHGOGWFJSBXJDZ-UHFFFAOYSA-N
MW250.29 g/mol
LogP1.38
Rot. Bonds4

About methyl 2-[6-(2-methoxy-2-oxoethyl)-3-tetracyclo[4.2.0.02,5.03,8]octanyl]acetate

methyl 2-[6-(2-methoxy-2-oxoethyl)-3-tetracyclo[4.2.0.02,5.03,8]octanyl]acetate (PubChem CID 71193848) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is methyl 2-[6-(2-methoxy-2-oxoethyl)-3-tetracyclo[4.2.0.02,5.03,8]octanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-(2-methoxy-2-oxoethyl)-3-tetracyclo[4.2.0.02,5.03,8]octanyl]acetate
PubChem CID71193848
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Namemethyl 2-[6-(2-methoxy-2-oxoethyl)-3-tetracyclo[4.2.0.02,5.03,8]octanyl]acetate
SMILESCOC(=O)CC12CC3C1C1C2CC31CC(=O)OC
InChIInChI=1S/C14H18O4/c1-17-9(15)5-13-3-8-11(13)12-7(13)4-14(8,12)6-10(16)18-2/h7-8,11-12H,3-6H2,1-2H3
InChIKeyZHGOGWFJSBXJDZ-UHFFFAOYSA-N
XLogP1.38
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[6-(2-methoxy-2-oxoethyl)-3-tetracyclo[4.2.0.02,5.03,8]octanyl]acetate with MolForge

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Related Compounds

methyl 2-[(1R,5R)-6-amino-6-bicyclo[3.2.0]heptanyl]acetate
CID 178191667
methyl 1-(2-methoxy-2-oxoethyl)-2-methylcyclopropane-1-carboxylate
CID 102304411
methyl 2-(1-amino-3-ethoxycyclobutyl)acetate
CID 106824251
methyl 2-[(2S)-3-amino-2-methyl-1-bicyclo[1.1.1]pentanyl]acetate
CID 155402586
methyl 2-(1-bicyclo[2.1.0]pentanyl)acetate
CID 171036863
methyl 2-(1-amino-3-methylcyclohexyl)acetate
CID 79848601
methyl 2-[(1R,5R,6R)-6-methyl-6-bicyclo[3.2.0]heptanyl]acetate
CID 67558569
4-(2-methoxy-2-oxoethyl)-2,4-dimethyltricyclo[3.1.1.03,6]heptane-1-carboxylic acid
CID 71193708
methyl 2-(2-azabicyclo[2.1.1]hexan-4-yl)acetate
CID 131539377
methyl 2-[(1S,5R)-6-fluoro-3-azabicyclo[3.1.0]hexan-6-yl]acetate
CID 175936340
methyl 2-[(1R,2R)-1,2-dihydroxycyclohexyl]acetate
CID 11600811
methyl 2-[1-(2-methoxy-2-oxoethyl)-3-methylcyclohexyl]acetate
CID 101326115

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(2-methoxy-2-oxoethyl)-3-tetracyclo[4.2.0.02,5.03,8]octanyl]acetate?
The IUPAC name of methyl 2-[6-(2-methoxy-2-oxoethyl)-3-tetracyclo[4.2.0.02,5.03,8]octanyl]acetate (CID 71193848) is methyl 2-[6-(2-methoxy-2-oxoethyl)-3-tetracyclo[4.2.0.02,5.03,8]octanyl]acetate.
What is the SMILES notation for methyl 2-[6-(2-methoxy-2-oxoethyl)-3-tetracyclo[4.2.0.02,5.03,8]octanyl]acetate?
The canonical SMILES for methyl 2-[6-(2-methoxy-2-oxoethyl)-3-tetracyclo[4.2.0.02,5.03,8]octanyl]acetate is COC(=O)CC12CC3C1C1C2CC31CC(=O)OC.
What is the InChIKey of methyl 2-[6-(2-methoxy-2-oxoethyl)-3-tetracyclo[4.2.0.02,5.03,8]octanyl]acetate?
The InChIKey is ZHGOGWFJSBXJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-17-9(15)5-13-3-8-11(13)12-7(13)4-14(8,12)6-10(16)18-2/h7-8,11-12H,3-6H2,1-2H3.
What are the key properties of methyl 2-[6-(2-methoxy-2-oxoethyl)-3-tetracyclo[4.2.0.02,5.03,8]octanyl]acetate?
methyl 2-[6-(2-methoxy-2-oxoethyl)-3-tetracyclo[4.2.0.02,5.03,8]octanyl]acetate has a molecular weight of 250.29 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-(2-methoxy-2-oxoethyl)-3-tetracyclo[4.2.0.02,5.03,8]octanyl]acetate is sourced from PubChem (CID 71193848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).