[1-(methoxymethyl)-2,3-dimethylinden-1-yl]methyl propanoate

C17H22O3 — CID 141047896

IUPAC[1-(methoxymethyl)-2,3-dimethylinden-1-yl]methyl propanoate
SMILESCCC(=O)OCC1(COC)C(C)=C(C)c2ccccc21
InChIInChI=1S/C17H22O3/c1-5-16(18)20-11-17(10-19-4)13(3)12(2)14-8-6-7-9-15(14)17/h6-9H,5,10-11H2,1-4H3
InChIKeyDWINEEVPRTZUSR-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.33
Rot. Bonds5

About [1-(methoxymethyl)-2,3-dimethylinden-1-yl]methyl propanoate

[1-(methoxymethyl)-2,3-dimethylinden-1-yl]methyl propanoate (PubChem CID 141047896) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is [1-(methoxymethyl)-2,3-dimethylinden-1-yl]methyl propanoate.

Molecular Properties

Compound Name[1-(methoxymethyl)-2,3-dimethylinden-1-yl]methyl propanoate
PubChem CID141047896
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name[1-(methoxymethyl)-2,3-dimethylinden-1-yl]methyl propanoate
SMILESCCC(=O)OCC1(COC)C(C)=C(C)c2ccccc21
InChIInChI=1S/C17H22O3/c1-5-16(18)20-11-17(10-19-4)13(3)12(2)14-8-6-7-9-15(14)17/h6-9H,5,10-11H2,1-4H3
InChIKeyDWINEEVPRTZUSR-UHFFFAOYSA-N
XLogP3.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[9-(methoxymethyl)-2,3,6,7-tetramethylfluoren-9-yl]methyl propanoate
CID 141047897
[9-[2-[9-(methoxycarbonyloxymethyl)fluoren-9-yl]ethyl]fluoren-9-yl]methyl methyl carbonate
CID 118345017
[9-(2-methylpropanoyloxymethyl)fluoren-9-yl]methyl 2-methylpropanoate
CID 126613610
2,3-dimethoxy-1,1-bis(methoxymethyl)indene
CID 23103653
[9-(diethylcarbamoyloxymethyl)fluoren-9-yl]methyl N,N-diethylcarbamate
CID 118272526
9,9-bis(2-methoxyethoxymethyl)fluorene
CID 22561477
9-(methoxymethyl)-9-(pentoxymethyl)fluorene
CID 22140520
propan-2-yl 2-[9-(2-oxo-2-propan-2-yloxyethyl)fluoren-9-yl]acetate
CID 141442965
1-[9-(methoxymethyl)fluoren-9-yl]pentan-1-one
CID 67497909
ethyl 9-hydroxyfluorene-9-carboxylate
CID 139070715
[2-[10-[9-(propanoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]anthracen-9-yl]-9-(3-prop-2-enoyloxypropyl)fluoren-9-yl]methyl propanoate
CID 118652615
[1-(methoxymethyl)-2-oxo-3-(pentanoyloxymethyl)indol-3-yl]methyl pentanoate
CID 101139622

Frequently Asked Questions

What is the IUPAC name of [1-(methoxymethyl)-2,3-dimethylinden-1-yl]methyl propanoate?
The IUPAC name of [1-(methoxymethyl)-2,3-dimethylinden-1-yl]methyl propanoate (CID 141047896) is [1-(methoxymethyl)-2,3-dimethylinden-1-yl]methyl propanoate.
What is the SMILES notation for [1-(methoxymethyl)-2,3-dimethylinden-1-yl]methyl propanoate?
The canonical SMILES for [1-(methoxymethyl)-2,3-dimethylinden-1-yl]methyl propanoate is CCC(=O)OCC1(COC)C(C)=C(C)c2ccccc21.
What is the InChIKey of [1-(methoxymethyl)-2,3-dimethylinden-1-yl]methyl propanoate?
The InChIKey is DWINEEVPRTZUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O3/c1-5-16(18)20-11-17(10-19-4)13(3)12(2)14-8-6-7-9-15(14)17/h6-9H,5,10-11H2,1-4H3.
What are the key properties of [1-(methoxymethyl)-2,3-dimethylinden-1-yl]methyl propanoate?
[1-(methoxymethyl)-2,3-dimethylinden-1-yl]methyl propanoate has a molecular weight of 274.36 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methoxymethyl)-2,3-dimethylinden-1-yl]methyl propanoate is sourced from PubChem (CID 141047896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).