2,3-dimethyl-1H-indene;ethane

C13H18 — CID 54108652

IUPAC2,3-dimethyl-1H-indene;ethane
SMILESCC.CC1=C(C)c2ccccc2C1
InChIInChI=1S/C11H12.C2H6/c1-8-7-10-5-3-4-6-11(10)9(8)2;1-2/h3-6H,7H2,1-2H3;1-2H3
InChIKeyNFNJYSZMRBOJME-UHFFFAOYSA-N
MW174.29 g/mol
LogP4.06
Rot. Bonds

About 2,3-dimethyl-1H-indene;ethane

2,3-dimethyl-1H-indene;ethane (PubChem CID 54108652) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 2,3-dimethyl-1H-indene;ethane.

Molecular Properties

Compound Name2,3-dimethyl-1H-indene;ethane
PubChem CID54108652
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name2,3-dimethyl-1H-indene;ethane
SMILESCC.CC1=C(C)c2ccccc2C1
InChIInChI=1S/C11H12.C2H6/c1-8-7-10-5-3-4-6-11(10)9(8)2;1-2/h3-6H,7H2,1-2H3;1-2H3
InChIKeyNFNJYSZMRBOJME-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

lithium;2,3-dimethyl-1H-indene;hydride
CID 174422478
dichlorozirconium;2,3-dimethyl-1H-indene
CID 174258147
2,3-dimethyl-6-phenyl-1H-indene
CID 173147949
2-methyl-3-[2-(2-methyl-3H-inden-1-yl)propan-2-yl]-1H-indene
CID 18369858
3-methyl-1H-indene-2-carbonitrile
CID 2753059
ethane;pentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 123798005
cadmium;9H-fluorene
CID 175337736
azane;hexakis(9H-fluorene)
CID 158472914
9H-fluorene;trihydrofluoride
CID 172854917
chromium;9H-fluorene
CID 161167703
3-[(Z)-but-2-en-2-yl]-2-methyl-1H-indene
CID 142104556
ethane;9H-fluorene;naphthalene;toluene
CID 160674058

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1H-indene;ethane?
The IUPAC name of 2,3-dimethyl-1H-indene;ethane (CID 54108652) is 2,3-dimethyl-1H-indene;ethane.
What is the SMILES notation for 2,3-dimethyl-1H-indene;ethane?
The canonical SMILES for 2,3-dimethyl-1H-indene;ethane is CC.CC1=C(C)c2ccccc2C1.
What is the InChIKey of 2,3-dimethyl-1H-indene;ethane?
The InChIKey is NFNJYSZMRBOJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12.C2H6/c1-8-7-10-5-3-4-6-11(10)9(8)2;1-2/h3-6H,7H2,1-2H3;1-2H3.
What are the key properties of 2,3-dimethyl-1H-indene;ethane?
2,3-dimethyl-1H-indene;ethane has a molecular weight of 174.29 g/mol, XLogP of 4.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1H-indene;ethane is sourced from PubChem (CID 54108652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).