6,6-dimethyl-1-(5-methylhexan-2-yl)-5,7-dihydroindol-4-one

C17H27NO — CID 63925944

IUPAC6,6-dimethyl-1-(5-methylhexan-2-yl)-5,7-dihydroindol-4-one
SMILESCC(C)CCC(C)n1ccc2c1CC(C)(C)CC2=O
InChIInChI=1S/C17H27NO/c1-12(2)6-7-13(3)18-9-8-14-15(18)10-17(4,5)11-16(14)19/h8-9,12-13H,6-7,10-11H2,1-5H3
InChIKeyNHWLOVNSHSNGKQ-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.64
Rot. Bonds4

About 6,6-dimethyl-1-(5-methylhexan-2-yl)-5,7-dihydroindol-4-one

6,6-dimethyl-1-(5-methylhexan-2-yl)-5,7-dihydroindol-4-one (PubChem CID 63925944) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 6,6-dimethyl-1-(5-methylhexan-2-yl)-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name6,6-dimethyl-1-(5-methylhexan-2-yl)-5,7-dihydroindol-4-one
PubChem CID63925944
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name6,6-dimethyl-1-(5-methylhexan-2-yl)-5,7-dihydroindol-4-one
SMILESCC(C)CCC(C)n1ccc2c1CC(C)(C)CC2=O
InChIInChI=1S/C17H27NO/c1-12(2)6-7-13(3)18-9-8-14-15(18)10-17(4,5)11-16(14)19/h8-9,12-13H,6-7,10-11H2,1-5H3
InChIKeyNHWLOVNSHSNGKQ-UHFFFAOYSA-N
XLogP4.64
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,6-dimethyl-1-(5-methylhexyl)-5,7-dihydroindol-4-one
CID 113287789
1-[1-(4-bromophenyl)ethyl]-6,6-dimethyl-5,7-dihydroindol-4-one
CID 63465155
6,6-dimethyl-1-(1-phenylpropyl)-5,7-dihydroindol-4-one
CID 62303894
1-(3-ethylpentan-3-yl)-6,6-dimethyl-5,7-dihydroindol-4-one
CID 65039119
6,6-dimethyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-5,7-dihydroindol-4-one
CID 62640255
2,6,6-trimethyl-1-(6-methylheptan-2-yl)-5,7-dihydroindol-4-one
CID 63466053
1-(2-cyclopentylethyl)-6,6-dimethyl-5,7-dihydroindol-4-one
CID 55191900
6,6-dimethyl-1-[(1-methylcyclopentyl)methyl]-5,7-dihydroindol-4-one
CID 55261214
1-(cyclohexylmethyl)-6,6-dimethyl-5,7-dihydroindol-4-one
CID 63465339
1-[[1-(dimethylamino)cyclopentyl]methyl]-6,6-dimethyl-5,7-dihydroindol-4-one
CID 83113945
1-(4-ethylcyclohexyl)-6,6-dimethyl-5,7-dihydroindol-4-one
CID 63466947
1-(2-hydroxycyclohexyl)-6,6-dimethyl-5,7-dihydroindol-4-one
CID 62359808

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-(5-methylhexan-2-yl)-5,7-dihydroindol-4-one?
The IUPAC name of 6,6-dimethyl-1-(5-methylhexan-2-yl)-5,7-dihydroindol-4-one (CID 63925944) is 6,6-dimethyl-1-(5-methylhexan-2-yl)-5,7-dihydroindol-4-one.
What is the SMILES notation for 6,6-dimethyl-1-(5-methylhexan-2-yl)-5,7-dihydroindol-4-one?
The canonical SMILES for 6,6-dimethyl-1-(5-methylhexan-2-yl)-5,7-dihydroindol-4-one is CC(C)CCC(C)n1ccc2c1CC(C)(C)CC2=O.
What is the InChIKey of 6,6-dimethyl-1-(5-methylhexan-2-yl)-5,7-dihydroindol-4-one?
The InChIKey is NHWLOVNSHSNGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12(2)6-7-13(3)18-9-8-14-15(18)10-17(4,5)11-16(14)19/h8-9,12-13H,6-7,10-11H2,1-5H3.
What are the key properties of 6,6-dimethyl-1-(5-methylhexan-2-yl)-5,7-dihydroindol-4-one?
6,6-dimethyl-1-(5-methylhexan-2-yl)-5,7-dihydroindol-4-one has a molecular weight of 261.41 g/mol, XLogP of 4.64, 4 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-methylhexan-2-yl)-5,7-dihydroindol-4-one is sourced from PubChem (CID 63925944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).