1-butan-2-yl-1,3,3-trimethyl-2H-indene

C16H24 — CID 163889773

IUPAC1-butan-2-yl-1,3,3-trimethyl-2H-indene
SMILESCCC(C)C1(C)CC(C)(C)c2ccccc21
InChIInChI=1S/C16H24/c1-6-12(2)16(5)11-15(3,4)13-9-7-8-10-14(13)16/h7-10,12H,6,11H2,1-5H3
InChIKeyQAOBROXQSOECAN-UHFFFAOYSA-N
MW216.37 g/mol
LogP4.67
Rot. Bonds2

About 1-butan-2-yl-1,3,3-trimethyl-2H-indene

1-butan-2-yl-1,3,3-trimethyl-2H-indene (PubChem CID 163889773) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-butan-2-yl-1,3,3-trimethyl-2H-indene.

Molecular Properties

Compound Name1-butan-2-yl-1,3,3-trimethyl-2H-indene
PubChem CID163889773
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name1-butan-2-yl-1,3,3-trimethyl-2H-indene
SMILESCCC(C)C1(C)CC(C)(C)c2ccccc21
InChIInChI=1S/C16H24/c1-6-12(2)16(5)11-15(3,4)13-9-7-8-10-14(13)16/h7-10,12H,6,11H2,1-5H3
InChIKeyQAOBROXQSOECAN-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-butan-2-yl-1,3,3-trimethyl-2H-indene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]
CID 621575
2-(3-butan-2-yl-1,1,3-trimethyl-2H-inden-5-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 163447963
1,3,3-trimethyl-2H-inden-1-ol
CID 121006931
7b-butan-2-yl-1a,2,3-trimethyl-2,3-dihydro-1H-cyclopropa[a]naphthalene
CID 147281532
benzene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 173031980
3-butan-2-yl-3-methyl-1H-indol-2-one
CID 70850477
5,5,9,9-tetramethyl-7,8-dihydro-6H-benzo[7]annulene
CID 125494585
2,2-diethyl-4,4-dimethyl-3H-chromene
CID 146403608
1-(4-bromophenyl)-1,3,3-trimethyl-2H-indene
CID 155775564
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3,3-trimethyl-2H-indene
CID 144746927
2-(2-ethylphenyl)-2,4,4-trimethyl-3H-chromene
CID 143140555
methane;3-methyl-3-propan-2-yl-1,2-dihydroindene
CID 176568609

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-1,3,3-trimethyl-2H-indene?
The IUPAC name of 1-butan-2-yl-1,3,3-trimethyl-2H-indene (CID 163889773) is 1-butan-2-yl-1,3,3-trimethyl-2H-indene.
What is the SMILES notation for 1-butan-2-yl-1,3,3-trimethyl-2H-indene?
The canonical SMILES for 1-butan-2-yl-1,3,3-trimethyl-2H-indene is CCC(C)C1(C)CC(C)(C)c2ccccc21.
What is the InChIKey of 1-butan-2-yl-1,3,3-trimethyl-2H-indene?
The InChIKey is QAOBROXQSOECAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-6-12(2)16(5)11-15(3,4)13-9-7-8-10-14(13)16/h7-10,12H,6,11H2,1-5H3.
What are the key properties of 1-butan-2-yl-1,3,3-trimethyl-2H-indene?
1-butan-2-yl-1,3,3-trimethyl-2H-indene has a molecular weight of 216.37 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-1,3,3-trimethyl-2H-indene is sourced from PubChem (CID 163889773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).