4-(2-methylbutan-2-yl)-2,3-dihydro-1H-indene

C14H20 — CID 174033405

IUPAC4-(2-methylbutan-2-yl)-2,3-dihydro-1H-indene
SMILESCCC(C)(C)c1cccc2c1CCC2
InChIInChI=1S/C14H20/c1-4-14(2,3)13-10-6-8-11-7-5-9-12(11)13/h6,8,10H,4-5,7,9H2,1-3H3
InChIKeyJAFFWFQRLVWJEN-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.86
Rot. Bonds2

About 4-(2-methylbutan-2-yl)-2,3-dihydro-1H-indene

4-(2-methylbutan-2-yl)-2,3-dihydro-1H-indene (PubChem CID 174033405) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-2,3-dihydro-1H-indene
PubChem CID174033405
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name4-(2-methylbutan-2-yl)-2,3-dihydro-1H-indene
SMILESCCC(C)(C)c1cccc2c1CCC2
InChIInChI=1S/C14H20/c1-4-14(2,3)13-10-6-8-11-7-5-9-12(11)13/h6,8,10H,4-5,7,9H2,1-3H3
InChIKeyJAFFWFQRLVWJEN-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-2,3-dihydro-1H-indene?
The IUPAC name of 4-(2-methylbutan-2-yl)-2,3-dihydro-1H-indene (CID 174033405) is 4-(2-methylbutan-2-yl)-2,3-dihydro-1H-indene.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-2,3-dihydro-1H-indene?
The canonical SMILES for 4-(2-methylbutan-2-yl)-2,3-dihydro-1H-indene is CCC(C)(C)c1cccc2c1CCC2.
What is the InChIKey of 4-(2-methylbutan-2-yl)-2,3-dihydro-1H-indene?
The InChIKey is JAFFWFQRLVWJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-4-14(2,3)13-10-6-8-11-7-5-9-12(11)13/h6,8,10H,4-5,7,9H2,1-3H3.
What are the key properties of 4-(2-methylbutan-2-yl)-2,3-dihydro-1H-indene?
4-(2-methylbutan-2-yl)-2,3-dihydro-1H-indene has a molecular weight of 188.31 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-2,3-dihydro-1H-indene is sourced from PubChem (CID 174033405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).