5-(2-methylpropyl)-1H-indene

C13H16 — CID 18314914

IUPAC5-(2-methylpropyl)-1H-indene
SMILESCC(C)Cc1ccc2c(c1)C=CC2
InChIInChI=1S/C13H16/c1-10(2)8-11-6-7-12-4-3-5-13(12)9-11/h3,5-7,9-10H,4,8H2,1-2H3
InChIKeyYFGFZMFBUHQFLP-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.45
Rot. Bonds2

About 5-(2-methylpropyl)-1H-indene

5-(2-methylpropyl)-1H-indene (PubChem CID 18314914) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is 5-(2-methylpropyl)-1H-indene.

Molecular Properties

Compound Name5-(2-methylpropyl)-1H-indene
PubChem CID18314914
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name5-(2-methylpropyl)-1H-indene
SMILESCC(C)Cc1ccc2c(c1)C=CC2
InChIInChI=1S/C13H16/c1-10(2)8-11-6-7-12-4-3-5-13(12)9-11/h3,5-7,9-10H,4,8H2,1-2H3
InChIKeyYFGFZMFBUHQFLP-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;5-(2-methylpropyl)-1H-indene
CID 162282663
5-octadecyl-1H-indene
CID 90751202
7-(2-methylpropyl)-1,2-dihydronaphthalene
CID 162529552
6-(2-methylpropyl)-1,2-dihydroanthracene
CID 141269384
N-[1-(3H-inden-5-yl)propan-2-yl]-N-methylhydroxylamine
CID 155884374
5-(2-methylpropyl)-2-propan-2-yl-1H-indene;zirconium
CID 174563296
1-(1H-inden-5-yl)-4,4-dimethylpentan-2-one
CID 90748729
4-methyl-9-(2-methylpropyl)-1,2,3,5,6,7-hexahydro-4-benzazonine
CID 170264130
5-bromo-1H-indene
CID 2747571
5-[2-(1H-inden-5-yl)ethynyl]-1H-indene
CID 123225613
4-[1-(5,6-dihydronaphthalen-2-yl)propan-2-ylamino]phenol
CID 145300151
1,1,4,4-tetramethyl-6-(2-methylpropyl)-2,3-dihydronaphthalene
CID 59409873

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-1H-indene?
The IUPAC name of 5-(2-methylpropyl)-1H-indene (CID 18314914) is 5-(2-methylpropyl)-1H-indene.
What is the SMILES notation for 5-(2-methylpropyl)-1H-indene?
The canonical SMILES for 5-(2-methylpropyl)-1H-indene is CC(C)Cc1ccc2c(c1)C=CC2.
What is the InChIKey of 5-(2-methylpropyl)-1H-indene?
The InChIKey is YFGFZMFBUHQFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16/c1-10(2)8-11-6-7-12-4-3-5-13(12)9-11/h3,5-7,9-10H,4,8H2,1-2H3.
What are the key properties of 5-(2-methylpropyl)-1H-indene?
5-(2-methylpropyl)-1H-indene has a molecular weight of 172.27 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-1H-indene is sourced from PubChem (CID 18314914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).