3-butyl-3,5-dimethyl-1,2-dihydroindene

C15H22 — CID 59994805

IUPAC3-butyl-3,5-dimethyl-1,2-dihydroindene
SMILESCCCCC1(C)CCc2ccc(C)cc21
InChIInChI=1S/C15H22/c1-4-5-9-15(3)10-8-13-7-6-12(2)11-14(13)15/h6-7,11H,4-5,8-10H2,1-3H3
InChIKeyNSSIXEJYJDYZRR-UHFFFAOYSA-N
MW202.34 g/mol
LogP4.39
Rot. Bonds3

About 3-butyl-3,5-dimethyl-1,2-dihydroindene

3-butyl-3,5-dimethyl-1,2-dihydroindene (PubChem CID 59994805) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 3-butyl-3,5-dimethyl-1,2-dihydroindene.

Molecular Properties

Compound Name3-butyl-3,5-dimethyl-1,2-dihydroindene
PubChem CID59994805
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name3-butyl-3,5-dimethyl-1,2-dihydroindene
SMILESCCCCC1(C)CCc2ccc(C)cc21
InChIInChI=1S/C15H22/c1-4-5-9-15(3)10-8-13-7-6-12(2)11-14(13)15/h6-7,11H,4-5,8-10H2,1-3H3
InChIKeyNSSIXEJYJDYZRR-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-methyl-3-propyl-1,2-dihydroindene
CID 145156021
1-butyl-1-methyl-2-propan-2-ylidenecyclobutane
CID 123702503
3,3-dipropyl-1,2-dihydroindene;ethane;5-methyl-3,3-dipropyl-1,2-dihydroindene
CID 144692126
3,3-difluoro-5-methyl-1,2-dihydroindene
CID 84717285
3,5-dimethyl-3-propan-2-yl-1,2-dihydroindene
CID 169145342
9-hexyl-2,7,9-trimethylfluorene
CID 123978298
(6R,8S)-8-butyl-6,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol;methanamine
CID 142380825
1,1,7-trimethyl-3,4-dihydro-2H-naphthalen-2-ol
CID 115010757
3-(aminomethyl)-3-methyl-1,2-dihydroinden-5-ol
CID 84717952
6-methyl-1-(2-propoxyphenyl)-2,3-dihydroinden-1-ol
CID 104658916
2-(9-butyl-7-methyl-9-octylfluoren-2-yl)-7-methyl-9,9-dioctylfluorene
CID 155791402
ethyl 2-(1-amino-7-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate
CID 174154255

Frequently Asked Questions

What is the IUPAC name of 3-butyl-3,5-dimethyl-1,2-dihydroindene?
The IUPAC name of 3-butyl-3,5-dimethyl-1,2-dihydroindene (CID 59994805) is 3-butyl-3,5-dimethyl-1,2-dihydroindene.
What is the SMILES notation for 3-butyl-3,5-dimethyl-1,2-dihydroindene?
The canonical SMILES for 3-butyl-3,5-dimethyl-1,2-dihydroindene is CCCCC1(C)CCc2ccc(C)cc21.
What is the InChIKey of 3-butyl-3,5-dimethyl-1,2-dihydroindene?
The InChIKey is NSSIXEJYJDYZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-4-5-9-15(3)10-8-13-7-6-12(2)11-14(13)15/h6-7,11H,4-5,8-10H2,1-3H3.
What are the key properties of 3-butyl-3,5-dimethyl-1,2-dihydroindene?
3-butyl-3,5-dimethyl-1,2-dihydroindene has a molecular weight of 202.34 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-3,5-dimethyl-1,2-dihydroindene is sourced from PubChem (CID 59994805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).