ethane;propane;1,2,3-trimethyl-1H-indene

C17H28 — CID 142448762

IUPACethane;propane;1,2,3-trimethyl-1H-indene
SMILESCC.CC1=C(C)C(C)c2ccccc21.CCC
InChIInChI=1S/C12H14.C3H8.C2H6/c1-8-9(2)11-6-4-5-7-12(11)10(8)3;1-3-2;1-2/h4-7,9H,1-3H3;3H2,1-2H3;1-2H3
InChIKeyHSIQPLILIBKTRD-UHFFFAOYSA-N
MW232.41 g/mol
LogP6.04
Rot. Bonds

About ethane;propane;1,2,3-trimethyl-1H-indene

ethane;propane;1,2,3-trimethyl-1H-indene (PubChem CID 142448762) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is ethane;propane;1,2,3-trimethyl-1H-indene.

Molecular Properties

Compound Nameethane;propane;1,2,3-trimethyl-1H-indene
PubChem CID142448762
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Nameethane;propane;1,2,3-trimethyl-1H-indene
SMILESCC.CC1=C(C)C(C)c2ccccc21.CCC
InChIInChI=1S/C12H14.C3H8.C2H6/c1-8-9(2)11-6-4-5-7-12(11)10(8)3;1-3-2;1-2/h4-7,9H,1-3H3;3H2,1-2H3;1-2H3
InChIKeyHSIQPLILIBKTRD-UHFFFAOYSA-N
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;propane;1,2,3-trimethyl-1H-indene?
The IUPAC name of ethane;propane;1,2,3-trimethyl-1H-indene (CID 142448762) is ethane;propane;1,2,3-trimethyl-1H-indene.
What is the SMILES notation for ethane;propane;1,2,3-trimethyl-1H-indene?
The canonical SMILES for ethane;propane;1,2,3-trimethyl-1H-indene is CC.CC1=C(C)C(C)c2ccccc21.CCC.
What is the InChIKey of ethane;propane;1,2,3-trimethyl-1H-indene?
The InChIKey is HSIQPLILIBKTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14.C3H8.C2H6/c1-8-9(2)11-6-4-5-7-12(11)10(8)3;1-3-2;1-2/h4-7,9H,1-3H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;propane;1,2,3-trimethyl-1H-indene?
ethane;propane;1,2,3-trimethyl-1H-indene has a molecular weight of 232.41 g/mol, XLogP of 6.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propane;1,2,3-trimethyl-1H-indene is sourced from PubChem (CID 142448762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).