[6-(methoxymethyl)-1,3,3-trimethyl-2H-inden-1-yl] 2-methylprop-2-enoate

C18H24O3 — CID 129105693

IUPAC[6-(methoxymethyl)-1,3,3-trimethyl-2H-inden-1-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C)CC(C)(C)c2ccc(COC)cc21
InChIInChI=1S/C18H24O3/c1-12(2)16(19)21-18(5)11-17(3,4)14-8-7-13(10-20-6)9-15(14)18/h7-9H,1,10-11H2,2-6H3
InChIKeyIUCXMCRMLSFEAP-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.85
Rot. Bonds4

About [6-(methoxymethyl)-1,3,3-trimethyl-2H-inden-1-yl] 2-methylprop-2-enoate

[6-(methoxymethyl)-1,3,3-trimethyl-2H-inden-1-yl] 2-methylprop-2-enoate (PubChem CID 129105693) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is [6-(methoxymethyl)-1,3,3-trimethyl-2H-inden-1-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[6-(methoxymethyl)-1,3,3-trimethyl-2H-inden-1-yl] 2-methylprop-2-enoate
PubChem CID129105693
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name[6-(methoxymethyl)-1,3,3-trimethyl-2H-inden-1-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C)CC(C)(C)c2ccc(COC)cc21
InChIInChI=1S/C18H24O3/c1-12(2)16(19)21-18(5)11-17(3,4)14-8-7-13(10-20-6)9-15(14)18/h7-9H,1,10-11H2,2-6H3
InChIKeyIUCXMCRMLSFEAP-UHFFFAOYSA-N
XLogP3.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-(methoxymethyl)-1,3,3-trimethyl-2H-inden-1-yl] 2-methylprop-2-enoate?
The IUPAC name of [6-(methoxymethyl)-1,3,3-trimethyl-2H-inden-1-yl] 2-methylprop-2-enoate (CID 129105693) is [6-(methoxymethyl)-1,3,3-trimethyl-2H-inden-1-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [6-(methoxymethyl)-1,3,3-trimethyl-2H-inden-1-yl] 2-methylprop-2-enoate?
The canonical SMILES for [6-(methoxymethyl)-1,3,3-trimethyl-2H-inden-1-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1(C)CC(C)(C)c2ccc(COC)cc21.
What is the InChIKey of [6-(methoxymethyl)-1,3,3-trimethyl-2H-inden-1-yl] 2-methylprop-2-enoate?
The InChIKey is IUCXMCRMLSFEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c1-12(2)16(19)21-18(5)11-17(3,4)14-8-7-13(10-20-6)9-15(14)18/h7-9H,1,10-11H2,2-6H3.
What are the key properties of [6-(methoxymethyl)-1,3,3-trimethyl-2H-inden-1-yl] 2-methylprop-2-enoate?
[6-(methoxymethyl)-1,3,3-trimethyl-2H-inden-1-yl] 2-methylprop-2-enoate has a molecular weight of 288.39 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(methoxymethyl)-1,3,3-trimethyl-2H-inden-1-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 129105693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).