dimethyl 5,6-bis(methoxymethyl)-3a-methyl-3,4-dihydro-1H-indene-2,2-dicarboxylate

C18H26O6 — CID 11667236

IUPACdimethyl 5,6-bis(methoxymethyl)-3a-methyl-3,4-dihydro-1H-indene-2,2-dicarboxylate
SMILESCOCC1=C(COC)CC2(C)CC(C(=O)OC)(C(=O)OC)CC2=C1
InChIInChI=1S/C18H26O6/c1-17-7-13(10-22-3)12(9-21-2)6-14(17)8-18(11-17,15(19)23-4)16(20)24-5/h6H,7-11H2,1-5H3
InChIKeyYKWSSOCXZZZYDG-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.04
Rot. Bonds6

About dimethyl 5,6-bis(methoxymethyl)-3a-methyl-3,4-dihydro-1H-indene-2,2-dicarboxylate

dimethyl 5,6-bis(methoxymethyl)-3a-methyl-3,4-dihydro-1H-indene-2,2-dicarboxylate (PubChem CID 11667236) has the molecular formula C18H26O6 and a molecular weight of 338.40 g/mol. Its IUPAC name is dimethyl 5,6-bis(methoxymethyl)-3a-methyl-3,4-dihydro-1H-indene-2,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5,6-bis(methoxymethyl)-3a-methyl-3,4-dihydro-1H-indene-2,2-dicarboxylate
PubChem CID11667236
Molecular FormulaC18H26O6
Molecular Weight338.40 g/mol
Exact Mass338.17
IUPAC Namedimethyl 5,6-bis(methoxymethyl)-3a-methyl-3,4-dihydro-1H-indene-2,2-dicarboxylate
SMILESCOCC1=C(COC)CC2(C)CC(C(=O)OC)(C(=O)OC)CC2=C1
InChIInChI=1S/C18H26O6/c1-17-7-13(10-22-3)12(9-21-2)6-14(17)8-18(11-17,15(19)23-4)16(20)24-5/h6H,7-11H2,1-5H3
InChIKeyYKWSSOCXZZZYDG-UHFFFAOYSA-N
XLogP2.04
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 5,6-bis(methoxymethyl)-3a-methyl-3,4-dihydro-1H-indene-2,2-dicarboxylate?
The IUPAC name of dimethyl 5,6-bis(methoxymethyl)-3a-methyl-3,4-dihydro-1H-indene-2,2-dicarboxylate (CID 11667236) is dimethyl 5,6-bis(methoxymethyl)-3a-methyl-3,4-dihydro-1H-indene-2,2-dicarboxylate.
What is the SMILES notation for dimethyl 5,6-bis(methoxymethyl)-3a-methyl-3,4-dihydro-1H-indene-2,2-dicarboxylate?
The canonical SMILES for dimethyl 5,6-bis(methoxymethyl)-3a-methyl-3,4-dihydro-1H-indene-2,2-dicarboxylate is COCC1=C(COC)CC2(C)CC(C(=O)OC)(C(=O)OC)CC2=C1.
What is the InChIKey of dimethyl 5,6-bis(methoxymethyl)-3a-methyl-3,4-dihydro-1H-indene-2,2-dicarboxylate?
The InChIKey is YKWSSOCXZZZYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O6/c1-17-7-13(10-22-3)12(9-21-2)6-14(17)8-18(11-17,15(19)23-4)16(20)24-5/h6H,7-11H2,1-5H3.
What are the key properties of dimethyl 5,6-bis(methoxymethyl)-3a-methyl-3,4-dihydro-1H-indene-2,2-dicarboxylate?
dimethyl 5,6-bis(methoxymethyl)-3a-methyl-3,4-dihydro-1H-indene-2,2-dicarboxylate has a molecular weight of 338.40 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5,6-bis(methoxymethyl)-3a-methyl-3,4-dihydro-1H-indene-2,2-dicarboxylate is sourced from PubChem (CID 11667236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).