5-tert-butyl-6-methyl-2,3-dihydro-1H-indene

C14H20 — CID 140602507

IUPAC5-tert-butyl-6-methyl-2,3-dihydro-1H-indene
SMILESCc1cc2c(cc1C(C)(C)C)CCC2
InChIInChI=1S/C14H20/c1-10-8-11-6-5-7-12(11)9-13(10)14(2,3)4/h8-9H,5-7H2,1-4H3
InChIKeyLAVLIHXQRGIRJO-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.78
Rot. Bonds

About 5-tert-butyl-6-methyl-2,3-dihydro-1H-indene

5-tert-butyl-6-methyl-2,3-dihydro-1H-indene (PubChem CID 140602507) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 5-tert-butyl-6-methyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-tert-butyl-6-methyl-2,3-dihydro-1H-indene
PubChem CID140602507
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name5-tert-butyl-6-methyl-2,3-dihydro-1H-indene
SMILESCc1cc2c(cc1C(C)(C)C)CCC2
InChIInChI=1S/C14H20/c1-10-8-11-6-5-7-12(11)9-13(10)14(2,3)4/h8-9H,5-7H2,1-4H3
InChIKeyLAVLIHXQRGIRJO-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-6-methyl-2,3-dihydro-1H-indene?
The IUPAC name of 5-tert-butyl-6-methyl-2,3-dihydro-1H-indene (CID 140602507) is 5-tert-butyl-6-methyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-tert-butyl-6-methyl-2,3-dihydro-1H-indene?
The canonical SMILES for 5-tert-butyl-6-methyl-2,3-dihydro-1H-indene is Cc1cc2c(cc1C(C)(C)C)CCC2.
What is the InChIKey of 5-tert-butyl-6-methyl-2,3-dihydro-1H-indene?
The InChIKey is LAVLIHXQRGIRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-10-8-11-6-5-7-12(11)9-13(10)14(2,3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 5-tert-butyl-6-methyl-2,3-dihydro-1H-indene?
5-tert-butyl-6-methyl-2,3-dihydro-1H-indene has a molecular weight of 188.31 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-6-methyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 140602507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).