ethane;6-methyl-2,3,4,5-tetrahydro-1H-indene

C12H20 — CID 144672111

IUPACethane;6-methyl-2,3,4,5-tetrahydro-1H-indene
SMILESCC.CC1=CC2=C(CCC2)CC1
InChIInChI=1S/C10H14.C2H6/c1-8-5-6-9-3-2-4-10(9)7-8;1-2/h7H,2-6H2,1H3;1-2H3
InChIKeyOWFNVDWLEGNVRA-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.23
Rot. Bonds

About ethane;6-methyl-2,3,4,5-tetrahydro-1H-indene

ethane;6-methyl-2,3,4,5-tetrahydro-1H-indene (PubChem CID 144672111) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is ethane;6-methyl-2,3,4,5-tetrahydro-1H-indene.

Molecular Properties

Compound Nameethane;6-methyl-2,3,4,5-tetrahydro-1H-indene
PubChem CID144672111
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Nameethane;6-methyl-2,3,4,5-tetrahydro-1H-indene
SMILESCC.CC1=CC2=C(CCC2)CC1
InChIInChI=1S/C10H14.C2H6/c1-8-5-6-9-3-2-4-10(9)7-8;1-2/h7H,2-6H2,1H3;1-2H3
InChIKeyOWFNVDWLEGNVRA-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-2,3,4,5-tetrahydro-1H-indene?
The IUPAC name of ethane;6-methyl-2,3,4,5-tetrahydro-1H-indene (CID 144672111) is ethane;6-methyl-2,3,4,5-tetrahydro-1H-indene.
What is the SMILES notation for ethane;6-methyl-2,3,4,5-tetrahydro-1H-indene?
The canonical SMILES for ethane;6-methyl-2,3,4,5-tetrahydro-1H-indene is CC.CC1=CC2=C(CCC2)CC1.
What is the InChIKey of ethane;6-methyl-2,3,4,5-tetrahydro-1H-indene?
The InChIKey is OWFNVDWLEGNVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C2H6/c1-8-5-6-9-3-2-4-10(9)7-8;1-2/h7H,2-6H2,1H3;1-2H3.
What are the key properties of ethane;6-methyl-2,3,4,5-tetrahydro-1H-indene?
ethane;6-methyl-2,3,4,5-tetrahydro-1H-indene has a molecular weight of 164.29 g/mol, XLogP of 4.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-2,3,4,5-tetrahydro-1H-indene is sourced from PubChem (CID 144672111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).