6,6-dimethyl-1-(5-methylhexyl)-5,7-dihydroindol-4-one

C17H27NO — CID 113287789

IUPAC6,6-dimethyl-1-(5-methylhexyl)-5,7-dihydroindol-4-one
SMILESCC(C)CCCCn1ccc2c1CC(C)(C)CC2=O
InChIInChI=1S/C17H27NO/c1-13(2)7-5-6-9-18-10-8-14-15(18)11-17(3,4)12-16(14)19/h8,10,13H,5-7,9,11-12H2,1-4H3
InChIKeyCZORDSCRFWABSS-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.47
Rot. Bonds5

About 6,6-dimethyl-1-(5-methylhexyl)-5,7-dihydroindol-4-one

6,6-dimethyl-1-(5-methylhexyl)-5,7-dihydroindol-4-one (PubChem CID 113287789) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 6,6-dimethyl-1-(5-methylhexyl)-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name6,6-dimethyl-1-(5-methylhexyl)-5,7-dihydroindol-4-one
PubChem CID113287789
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name6,6-dimethyl-1-(5-methylhexyl)-5,7-dihydroindol-4-one
SMILESCC(C)CCCCn1ccc2c1CC(C)(C)CC2=O
InChIInChI=1S/C17H27NO/c1-13(2)7-5-6-9-18-10-8-14-15(18)11-17(3,4)12-16(14)19/h8,10,13H,5-7,9,11-12H2,1-4H3
InChIKeyCZORDSCRFWABSS-UHFFFAOYSA-N
XLogP4.47
TPSA22.00 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 ≤ 54.47
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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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-(5-methylhexyl)-5,7-dihydroindol-4-one?
The IUPAC name of 6,6-dimethyl-1-(5-methylhexyl)-5,7-dihydroindol-4-one (CID 113287789) is 6,6-dimethyl-1-(5-methylhexyl)-5,7-dihydroindol-4-one.
What is the SMILES notation for 6,6-dimethyl-1-(5-methylhexyl)-5,7-dihydroindol-4-one?
The canonical SMILES for 6,6-dimethyl-1-(5-methylhexyl)-5,7-dihydroindol-4-one is CC(C)CCCCn1ccc2c1CC(C)(C)CC2=O.
What is the InChIKey of 6,6-dimethyl-1-(5-methylhexyl)-5,7-dihydroindol-4-one?
The InChIKey is CZORDSCRFWABSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)7-5-6-9-18-10-8-14-15(18)11-17(3,4)12-16(14)19/h8,10,13H,5-7,9,11-12H2,1-4H3.
What are the key properties of 6,6-dimethyl-1-(5-methylhexyl)-5,7-dihydroindol-4-one?
6,6-dimethyl-1-(5-methylhexyl)-5,7-dihydroindol-4-one has a molecular weight of 261.41 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-(5-methylhexyl)-5,7-dihydroindol-4-one is sourced from PubChem (CID 113287789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).