3,3,5,6,7-pentamethyl-1,2-dihydroindene

C14H20 — CID 14838848

IUPAC3,3,5,6,7-pentamethyl-1,2-dihydroindene
SMILESCc1cc2c(c(C)c1C)CCC2(C)C
InChIInChI=1S/C14H20/c1-9-8-13-12(11(3)10(9)2)6-7-14(13,4)5/h8H,6-7H2,1-5H3
InChIKeyMFOOETCJBLULPZ-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.84
Rot. Bonds

About 3,3,5,6,7-pentamethyl-1,2-dihydroindene

3,3,5,6,7-pentamethyl-1,2-dihydroindene (PubChem CID 14838848) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 3,3,5,6,7-pentamethyl-1,2-dihydroindene.

Molecular Properties

Compound Name3,3,5,6,7-pentamethyl-1,2-dihydroindene
PubChem CID14838848
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name3,3,5,6,7-pentamethyl-1,2-dihydroindene
SMILESCc1cc2c(c(C)c1C)CCC2(C)C
InChIInChI=1S/C14H20/c1-9-8-13-12(11(3)10(9)2)6-7-14(13,4)5/h8H,6-7H2,1-5H3
InChIKeyMFOOETCJBLULPZ-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,6,7-pentamethyl-1,2-dihydroindene?
The IUPAC name of 3,3,5,6,7-pentamethyl-1,2-dihydroindene (CID 14838848) is 3,3,5,6,7-pentamethyl-1,2-dihydroindene.
What is the SMILES notation for 3,3,5,6,7-pentamethyl-1,2-dihydroindene?
The canonical SMILES for 3,3,5,6,7-pentamethyl-1,2-dihydroindene is Cc1cc2c(c(C)c1C)CCC2(C)C.
What is the InChIKey of 3,3,5,6,7-pentamethyl-1,2-dihydroindene?
The InChIKey is MFOOETCJBLULPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-9-8-13-12(11(3)10(9)2)6-7-14(13,4)5/h8H,6-7H2,1-5H3.
What are the key properties of 3,3,5,6,7-pentamethyl-1,2-dihydroindene?
3,3,5,6,7-pentamethyl-1,2-dihydroindene has a molecular weight of 188.31 g/mol, XLogP of 3.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,6,7-pentamethyl-1,2-dihydroindene is sourced from PubChem (CID 14838848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).