ethane;1,5,7-trimethyl-2,3-dihydro-1H-indene

C16H28 — CID 166534855

IUPACethane;1,5,7-trimethyl-2,3-dihydro-1H-indene
SMILESCC.CC.Cc1cc(C)c2c(c1)CCC2C
InChIInChI=1S/C12H16.2C2H6/c1-8-6-10(3)12-9(2)4-5-11(12)7-8;2*1-2/h6-7,9H,4-5H2,1-3H3;2*1-2H3
InChIKeyVZMMMKASELGVJF-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.41
Rot. Bonds

About ethane;1,5,7-trimethyl-2,3-dihydro-1H-indene

ethane;1,5,7-trimethyl-2,3-dihydro-1H-indene (PubChem CID 166534855) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is ethane;1,5,7-trimethyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Nameethane;1,5,7-trimethyl-2,3-dihydro-1H-indene
PubChem CID166534855
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Nameethane;1,5,7-trimethyl-2,3-dihydro-1H-indene
SMILESCC.CC.Cc1cc(C)c2c(c1)CCC2C
InChIInChI=1S/C12H16.2C2H6/c1-8-6-10(3)12-9(2)4-5-11(12)7-8;2*1-2/h6-7,9H,4-5H2,1-3H3;2*1-2H3
InChIKeyVZMMMKASELGVJF-UHFFFAOYSA-N
XLogP5.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;1,5,7-trimethyl-2,3-dihydro-1H-indene?
The IUPAC name of ethane;1,5,7-trimethyl-2,3-dihydro-1H-indene (CID 166534855) is ethane;1,5,7-trimethyl-2,3-dihydro-1H-indene.
What is the SMILES notation for ethane;1,5,7-trimethyl-2,3-dihydro-1H-indene?
The canonical SMILES for ethane;1,5,7-trimethyl-2,3-dihydro-1H-indene is CC.CC.Cc1cc(C)c2c(c1)CCC2C.
What is the InChIKey of ethane;1,5,7-trimethyl-2,3-dihydro-1H-indene?
The InChIKey is VZMMMKASELGVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.2C2H6/c1-8-6-10(3)12-9(2)4-5-11(12)7-8;2*1-2/h6-7,9H,4-5H2,1-3H3;2*1-2H3.
What are the key properties of ethane;1,5,7-trimethyl-2,3-dihydro-1H-indene?
ethane;1,5,7-trimethyl-2,3-dihydro-1H-indene has a molecular weight of 220.40 g/mol, XLogP of 5.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,5,7-trimethyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 166534855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).