methyl 2-[6-(2-methoxy-2-oxoethyl)-2-pentacyclo[5.4.1.03,10.05,9.08,11]dodecanyl]acetate

C18H24O4 — CID 13424932

IUPACmethyl 2-[6-(2-methoxy-2-oxoethyl)-2-pentacyclo[5.4.1.03,10.05,9.08,11]dodecanyl]acetate
SMILESCOC(=O)CC1C2CC3C(CC(=O)OC)C4CC1C1C2C3C41
InChIInChI=1S/C18H24O4/c1-21-13(19)5-7-9-3-11-8(6-14(20)22-2)12-4-10(7)16-15(9)17(11)18(12)16/h7-12,15-18H,3-6H2,1-2H3
InChIKeyMHUYMYCQVOYFPA-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.12
Rot. Bonds4

About methyl 2-[6-(2-methoxy-2-oxoethyl)-2-pentacyclo[5.4.1.03,10.05,9.08,11]dodecanyl]acetate

methyl 2-[6-(2-methoxy-2-oxoethyl)-2-pentacyclo[5.4.1.03,10.05,9.08,11]dodecanyl]acetate (PubChem CID 13424932) has the molecular formula C18H24O4 and a molecular weight of 304.39 g/mol. Its IUPAC name is methyl 2-[6-(2-methoxy-2-oxoethyl)-2-pentacyclo[5.4.1.03,10.05,9.08,11]dodecanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-(2-methoxy-2-oxoethyl)-2-pentacyclo[5.4.1.03,10.05,9.08,11]dodecanyl]acetate
PubChem CID13424932
Molecular FormulaC18H24O4
Molecular Weight304.39 g/mol
Exact Mass304.17
IUPAC Namemethyl 2-[6-(2-methoxy-2-oxoethyl)-2-pentacyclo[5.4.1.03,10.05,9.08,11]dodecanyl]acetate
SMILESCOC(=O)CC1C2CC3C(CC(=O)OC)C4CC1C1C2C3C41
InChIInChI=1S/C18H24O4/c1-21-13(19)5-7-9-3-11-8(6-14(20)22-2)12-4-10(7)16-15(9)17(11)18(12)16/h7-12,15-18H,3-6H2,1-2H3
InChIKeyMHUYMYCQVOYFPA-UHFFFAOYSA-N
XLogP2.12
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[6-(2-methoxy-2-oxoethyl)-2-pentacyclo[5.4.1.03,10.05,9.08,11]dodecanyl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(2-methoxy-2-oxoethyl)-2-pentacyclo[5.4.1.03,10.05,9.08,11]dodecanyl]acetate?
The IUPAC name of methyl 2-[6-(2-methoxy-2-oxoethyl)-2-pentacyclo[5.4.1.03,10.05,9.08,11]dodecanyl]acetate (CID 13424932) is methyl 2-[6-(2-methoxy-2-oxoethyl)-2-pentacyclo[5.4.1.03,10.05,9.08,11]dodecanyl]acetate.
What is the SMILES notation for methyl 2-[6-(2-methoxy-2-oxoethyl)-2-pentacyclo[5.4.1.03,10.05,9.08,11]dodecanyl]acetate?
The canonical SMILES for methyl 2-[6-(2-methoxy-2-oxoethyl)-2-pentacyclo[5.4.1.03,10.05,9.08,11]dodecanyl]acetate is COC(=O)CC1C2CC3C(CC(=O)OC)C4CC1C1C2C3C41.
What is the InChIKey of methyl 2-[6-(2-methoxy-2-oxoethyl)-2-pentacyclo[5.4.1.03,10.05,9.08,11]dodecanyl]acetate?
The InChIKey is MHUYMYCQVOYFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O4/c1-21-13(19)5-7-9-3-11-8(6-14(20)22-2)12-4-10(7)16-15(9)17(11)18(12)16/h7-12,15-18H,3-6H2,1-2H3.
What are the key properties of methyl 2-[6-(2-methoxy-2-oxoethyl)-2-pentacyclo[5.4.1.03,10.05,9.08,11]dodecanyl]acetate?
methyl 2-[6-(2-methoxy-2-oxoethyl)-2-pentacyclo[5.4.1.03,10.05,9.08,11]dodecanyl]acetate has a molecular weight of 304.39 g/mol, XLogP of 2.12, 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)-2-pentacyclo[5.4.1.03,10.05,9.08,11]dodecanyl]acetate is sourced from PubChem (CID 13424932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).