1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,3,5-trimethyl-2-methylideneindole

C19H29NO3 — CID 158186024

IUPAC1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,3,5-trimethyl-2-methylideneindole
SMILESC=C1N(CCOCCOCCOC)c2ccc(C)cc2C1(C)C
InChIInChI=1S/C19H29NO3/c1-15-6-7-18-17(14-15)19(3,4)16(2)20(18)8-9-22-12-13-23-11-10-21-5/h6-7,14H,2,8-13H2,1,3-5H3
InChIKeyGBHHMJUIVVXFPB-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.29
Rot. Bonds9

About 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,3,5-trimethyl-2-methylideneindole

1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,3,5-trimethyl-2-methylideneindole (PubChem CID 158186024) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,3,5-trimethyl-2-methylideneindole.

Molecular Properties

Compound Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,3,5-trimethyl-2-methylideneindole
PubChem CID158186024
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,3,5-trimethyl-2-methylideneindole
SMILESC=C1N(CCOCCOCCOC)c2ccc(C)cc2C1(C)C
InChIInChI=1S/C19H29NO3/c1-15-6-7-18-17(14-15)19(3,4)16(2)20(18)8-9-22-12-13-23-11-10-21-5/h6-7,14H,2,8-13H2,1,3-5H3
InChIKeyGBHHMJUIVVXFPB-UHFFFAOYSA-N
XLogP3.29
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-methylphenyl]boronic acid
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2-[2-[2-[2-[(E,3E)-3-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3,3-dimethylindol-2-ylidene]prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]ethoxy]ethoxy]ethanamine
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6-[2-[7-[1-[6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3,5-trimethylindol-1-yl]hexanoic acid
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2-[5-[5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3,3-dimethylindol-2-ylidene]penta-1,3-dienyl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3,3-dimethyl-5-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]indol-1-ium
CID 165430076
9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methyl-9-(2-propoxyethyl)fluorene
CID 142549933
3-[2-[2-[2-[2-[2-[2-[(1E,3E,5Z)-5-[1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,3-dimethylindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid chloride
CID 166641754
3-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[5-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,3,5-trimethylindol-1-ium-2-yl]penta-2,4-dienylidene]-3-methylindole-5-sulfonic acid
CID 134572879

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,3,5-trimethyl-2-methylideneindole?
The IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,3,5-trimethyl-2-methylideneindole (CID 158186024) is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,3,5-trimethyl-2-methylideneindole.
What is the SMILES notation for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,3,5-trimethyl-2-methylideneindole?
The canonical SMILES for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,3,5-trimethyl-2-methylideneindole is C=C1N(CCOCCOCCOC)c2ccc(C)cc2C1(C)C.
What is the InChIKey of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,3,5-trimethyl-2-methylideneindole?
The InChIKey is GBHHMJUIVVXFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-15-6-7-18-17(14-15)19(3,4)16(2)20(18)8-9-22-12-13-23-11-10-21-5/h6-7,14H,2,8-13H2,1,3-5H3.
What are the key properties of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,3,5-trimethyl-2-methylideneindole?
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,3,5-trimethyl-2-methylideneindole has a molecular weight of 319.45 g/mol, XLogP of 3.29, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,3,5-trimethyl-2-methylideneindole is sourced from PubChem (CID 158186024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).