5,6-dimethoxy-1-(2-methylprop-2-enyl)-2,3-dihydroindene-1-carbaldehyde

C16H20O3 — CID 162733767

IUPAC5,6-dimethoxy-1-(2-methylprop-2-enyl)-2,3-dihydroindene-1-carbaldehyde
SMILESC=C(C)CC1(C=O)CCc2cc(OC)c(OC)cc21
InChIInChI=1S/C16H20O3/c1-11(2)9-16(10-17)6-5-12-7-14(18-3)15(19-4)8-13(12)16/h7-8,10H,1,5-6,9H2,2-4H3
InChIKeyBSQBIPMGDLMIJI-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.05
Rot. Bonds5

About 5,6-dimethoxy-1-(2-methylprop-2-enyl)-2,3-dihydroindene-1-carbaldehyde

5,6-dimethoxy-1-(2-methylprop-2-enyl)-2,3-dihydroindene-1-carbaldehyde (PubChem CID 162733767) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 5,6-dimethoxy-1-(2-methylprop-2-enyl)-2,3-dihydroindene-1-carbaldehyde.

Molecular Properties

Compound Name5,6-dimethoxy-1-(2-methylprop-2-enyl)-2,3-dihydroindene-1-carbaldehyde
PubChem CID162733767
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name5,6-dimethoxy-1-(2-methylprop-2-enyl)-2,3-dihydroindene-1-carbaldehyde
SMILESC=C(C)CC1(C=O)CCc2cc(OC)c(OC)cc21
InChIInChI=1S/C16H20O3/c1-11(2)9-16(10-17)6-5-12-7-14(18-3)15(19-4)8-13(12)16/h7-8,10H,1,5-6,9H2,2-4H3
InChIKeyBSQBIPMGDLMIJI-UHFFFAOYSA-N
XLogP3.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-1-(2-methylprop-2-enyl)-2,3-dihydroindene-1-carbaldehyde?
The IUPAC name of 5,6-dimethoxy-1-(2-methylprop-2-enyl)-2,3-dihydroindene-1-carbaldehyde (CID 162733767) is 5,6-dimethoxy-1-(2-methylprop-2-enyl)-2,3-dihydroindene-1-carbaldehyde.
What is the SMILES notation for 5,6-dimethoxy-1-(2-methylprop-2-enyl)-2,3-dihydroindene-1-carbaldehyde?
The canonical SMILES for 5,6-dimethoxy-1-(2-methylprop-2-enyl)-2,3-dihydroindene-1-carbaldehyde is C=C(C)CC1(C=O)CCc2cc(OC)c(OC)cc21.
What is the InChIKey of 5,6-dimethoxy-1-(2-methylprop-2-enyl)-2,3-dihydroindene-1-carbaldehyde?
The InChIKey is BSQBIPMGDLMIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c1-11(2)9-16(10-17)6-5-12-7-14(18-3)15(19-4)8-13(12)16/h7-8,10H,1,5-6,9H2,2-4H3.
What are the key properties of 5,6-dimethoxy-1-(2-methylprop-2-enyl)-2,3-dihydroindene-1-carbaldehyde?
5,6-dimethoxy-1-(2-methylprop-2-enyl)-2,3-dihydroindene-1-carbaldehyde has a molecular weight of 260.33 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-1-(2-methylprop-2-enyl)-2,3-dihydroindene-1-carbaldehyde is sourced from PubChem (CID 162733767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).