5-butyl-4-methyl-2,3-dihydro-1H-indene

C14H20 — CID 86046523

IUPAC5-butyl-4-methyl-2,3-dihydro-1H-indene
SMILESCCCCc1ccc2c(c1C)CCC2
InChIInChI=1S/C14H20/c1-3-4-6-12-9-10-13-7-5-8-14(13)11(12)2/h9-10H,3-8H2,1-2H3
InChIKeyZUGGBRVXGLXGHV-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.83
Rot. Bonds3

About 5-butyl-4-methyl-2,3-dihydro-1H-indene

5-butyl-4-methyl-2,3-dihydro-1H-indene (PubChem CID 86046523) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 5-butyl-4-methyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-butyl-4-methyl-2,3-dihydro-1H-indene
PubChem CID86046523
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name5-butyl-4-methyl-2,3-dihydro-1H-indene
SMILESCCCCc1ccc2c(c1C)CCC2
InChIInChI=1S/C14H20/c1-3-4-6-12-9-10-13-7-5-8-14(13)11(12)2/h9-10H,3-8H2,1-2H3
InChIKeyZUGGBRVXGLXGHV-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-hexyl-4,7-dimethyl-2,3-dihydro-1H-indene
CID 90895714
5-hexyl-2,4-dimethyl-2,3-dihydro-1H-indene
CID 91013962
4,6-dibutyl-2,3-dihydro-1H-inden-5-ol
CID 154132660
2,3-dimethyl-1,4-dipentylbenzene
CID 54478491
4-(2-methyl-3-propylphenyl)-2,3-dihydro-1H-indene
CID 142524168
2-(3-aminopropyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 117294086
1,2,3,4-tetrabutylbenzene
CID 11220391
4-deuterio-6-hexyl-5-methyl-2,3-dihydro-1H-indene
CID 59068050
3,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 91587374
3-(4-methoxy-2,3-dihydro-1H-inden-5-yl)propan-1-ol
CID 117294953
azane;1-decyl-2,3-dimethylbenzene;hydrate
CID 174675361
2,3-dimethyl-6-octylphenol
CID 141122420

Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-methyl-2,3-dihydro-1H-indene?
The IUPAC name of 5-butyl-4-methyl-2,3-dihydro-1H-indene (CID 86046523) is 5-butyl-4-methyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-butyl-4-methyl-2,3-dihydro-1H-indene?
The canonical SMILES for 5-butyl-4-methyl-2,3-dihydro-1H-indene is CCCCc1ccc2c(c1C)CCC2.
What is the InChIKey of 5-butyl-4-methyl-2,3-dihydro-1H-indene?
The InChIKey is ZUGGBRVXGLXGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-3-4-6-12-9-10-13-7-5-8-14(13)11(12)2/h9-10H,3-8H2,1-2H3.
What are the key properties of 5-butyl-4-methyl-2,3-dihydro-1H-indene?
5-butyl-4-methyl-2,3-dihydro-1H-indene has a molecular weight of 188.31 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-methyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 86046523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).