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

C12H20 — CID 145030095

IUPACethane;4-methyl-2,3,3a,4-tetrahydro-1H-indene
SMILESCC.CC1C=CC=C2CCCC21
InChIInChI=1S/C10H14.C2H6/c1-8-4-2-5-9-6-3-7-10(8)9;1-2/h2,4-5,8,10H,3,6-7H2,1H3;1-2H3
InChIKeyXWHOUPANQGXGFK-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.94
Rot. Bonds

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

ethane;4-methyl-2,3,3a,4-tetrahydro-1H-indene (PubChem CID 145030095) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is ethane;4-methyl-2,3,3a,4-tetrahydro-1H-indene.

Molecular Properties

Compound Nameethane;4-methyl-2,3,3a,4-tetrahydro-1H-indene
PubChem CID145030095
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Nameethane;4-methyl-2,3,3a,4-tetrahydro-1H-indene
SMILESCC.CC1C=CC=C2CCCC21
InChIInChI=1S/C10H14.C2H6/c1-8-4-2-5-9-6-3-7-10(8)9;1-2/h2,4-5,8,10H,3,6-7H2,1H3;1-2H3
InChIKeyXWHOUPANQGXGFK-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-2,3,3a,4-tetrahydro-1H-indene?
The IUPAC name of ethane;4-methyl-2,3,3a,4-tetrahydro-1H-indene (CID 145030095) is ethane;4-methyl-2,3,3a,4-tetrahydro-1H-indene.
What is the SMILES notation for ethane;4-methyl-2,3,3a,4-tetrahydro-1H-indene?
The canonical SMILES for ethane;4-methyl-2,3,3a,4-tetrahydro-1H-indene is CC.CC1C=CC=C2CCCC21.
What is the InChIKey of ethane;4-methyl-2,3,3a,4-tetrahydro-1H-indene?
The InChIKey is XWHOUPANQGXGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C2H6/c1-8-4-2-5-9-6-3-7-10(8)9;1-2/h2,4-5,8,10H,3,6-7H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-2,3,3a,4-tetrahydro-1H-indene?
ethane;4-methyl-2,3,3a,4-tetrahydro-1H-indene has a molecular weight of 164.29 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-2,3,3a,4-tetrahydro-1H-indene is sourced from PubChem (CID 145030095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).