2,3,4,6,7-pentamethyl-1H-indene

C14H18 — CID 19366100

IUPAC2,3,4,6,7-pentamethyl-1H-indene
SMILESCC1=C(C)c2c(C)cc(C)c(C)c2C1
InChIInChI=1S/C14H18/c1-8-6-10(3)14-12(5)9(2)7-13(14)11(8)4/h6H,7H2,1-5H3
InChIKeyKYVAYNFWAWIZRI-UHFFFAOYSA-N
MW186.30 g/mol
LogP3.96
Rot. Bonds

About 2,3,4,6,7-pentamethyl-1H-indene

2,3,4,6,7-pentamethyl-1H-indene (PubChem CID 19366100) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 2,3,4,6,7-pentamethyl-1H-indene.

Molecular Properties

Compound Name2,3,4,6,7-pentamethyl-1H-indene
PubChem CID19366100
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name2,3,4,6,7-pentamethyl-1H-indene
SMILESCC1=C(C)c2c(C)cc(C)c(C)c2C1
InChIInChI=1S/C14H18/c1-8-6-10(3)14-12(5)9(2)7-13(14)11(8)4/h6H,7H2,1-5H3
InChIKeyKYVAYNFWAWIZRI-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,6,7-pentamethyl-1H-indene?
The IUPAC name of 2,3,4,6,7-pentamethyl-1H-indene (CID 19366100) is 2,3,4,6,7-pentamethyl-1H-indene.
What is the SMILES notation for 2,3,4,6,7-pentamethyl-1H-indene?
The canonical SMILES for 2,3,4,6,7-pentamethyl-1H-indene is CC1=C(C)c2c(C)cc(C)c(C)c2C1.
What is the InChIKey of 2,3,4,6,7-pentamethyl-1H-indene?
The InChIKey is KYVAYNFWAWIZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-8-6-10(3)14-12(5)9(2)7-13(14)11(8)4/h6H,7H2,1-5H3.
What are the key properties of 2,3,4,6,7-pentamethyl-1H-indene?
2,3,4,6,7-pentamethyl-1H-indene has a molecular weight of 186.30 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6,7-pentamethyl-1H-indene is sourced from PubChem (CID 19366100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).