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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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).