1,1,3,3-tetramethyl-2-pentoxyisoindole

C17H27NO — CID 101197439

IUPAC1,1,3,3-tetramethyl-2-pentoxyisoindole
SMILESCCCCCON1C(C)(C)c2ccccc2C1(C)C
InChIInChI=1S/C17H27NO/c1-6-7-10-13-19-18-16(2,3)14-11-8-9-12-15(14)17(18,4)5/h8-9,11-12H,6-7,10,13H2,1-5H3
InChIKeyJLIXHYZSWAYNLX-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.59
Rot. Bonds5

About 1,1,3,3-tetramethyl-2-pentoxyisoindole

1,1,3,3-tetramethyl-2-pentoxyisoindole (PubChem CID 101197439) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-pentoxyisoindole.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-pentoxyisoindole
PubChem CID101197439
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1,1,3,3-tetramethyl-2-pentoxyisoindole
SMILESCCCCCON1C(C)(C)c2ccccc2C1(C)C
InChIInChI=1S/C17H27NO/c1-6-7-10-13-19-18-16(2,3)14-11-8-9-12-15(14)17(18,4)5/h8-9,11-12H,6-7,10,13H2,1-5H3
InChIKeyJLIXHYZSWAYNLX-UHFFFAOYSA-N
XLogP4.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1,2,3,4-tetrapentoxytriphenylene
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pentoxybenzene;undecane
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9,10-dioctoxyanthracene
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CID 126715860
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CID 70977182
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9-(methoxymethyl)-9-(pentoxymethyl)fluorene
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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-2-pentoxyisoindole?
The IUPAC name of 1,1,3,3-tetramethyl-2-pentoxyisoindole (CID 101197439) is 1,1,3,3-tetramethyl-2-pentoxyisoindole.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-pentoxyisoindole?
The canonical SMILES for 1,1,3,3-tetramethyl-2-pentoxyisoindole is CCCCCON1C(C)(C)c2ccccc2C1(C)C.
What is the InChIKey of 1,1,3,3-tetramethyl-2-pentoxyisoindole?
The InChIKey is JLIXHYZSWAYNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-6-7-10-13-19-18-16(2,3)14-11-8-9-12-15(14)17(18,4)5/h8-9,11-12H,6-7,10,13H2,1-5H3.
What are the key properties of 1,1,3,3-tetramethyl-2-pentoxyisoindole?
1,1,3,3-tetramethyl-2-pentoxyisoindole has a molecular weight of 261.41 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-pentoxyisoindole is sourced from PubChem (CID 101197439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).