ethane;3-methyl-4,5,6,7-tetrahydro-1H-indene

C12H20 — CID 142044962

IUPACethane;3-methyl-4,5,6,7-tetrahydro-1H-indene
SMILESCC.CC1=CCC2=C1CCCC2
InChIInChI=1S/C10H14.C2H6/c1-8-6-7-9-4-2-3-5-10(8)9;1-2/h6H,2-5,7H2,1H3;1-2H3
InChIKeySDSRDCGJUNYHBX-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.23
Rot. Bonds

About ethane;3-methyl-4,5,6,7-tetrahydro-1H-indene

ethane;3-methyl-4,5,6,7-tetrahydro-1H-indene (PubChem CID 142044962) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is ethane;3-methyl-4,5,6,7-tetrahydro-1H-indene.

Molecular Properties

Compound Nameethane;3-methyl-4,5,6,7-tetrahydro-1H-indene
PubChem CID142044962
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Nameethane;3-methyl-4,5,6,7-tetrahydro-1H-indene
SMILESCC.CC1=CCC2=C1CCCC2
InChIInChI=1S/C10H14.C2H6/c1-8-6-7-9-4-2-3-5-10(8)9;1-2/h6H,2-5,7H2,1H3;1-2H3
InChIKeySDSRDCGJUNYHBX-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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Related Compounds

1,8-dimethyl-4,5,6,9-tetrahydro-3H-cyclopenta[f]azulene
CID 173271280
3-methyl-1,5,6,7-tetrahydroinden-4-one
CID 142181977
7-methyl-2,3,4,9-tetrahydro-1H-benzo[7]annulene
CID 13057529
1,1,3-trimethyl-4,5,6,7-tetrahydroindene
CID 174060691
6-methoxy-1,2,3,4,5,8-hexahydronaphthalene
CID 10034944
(5Z)-2-methyl-5-(2-methylcyclopent-2-en-1-ylidene)cyclopent-2-en-1-one
CID 131236041
8-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalene
CID 101316624
dimethyl-(4,5,6,7-tetrahydro-3aH-inden-1-yl)-(4,5,6,7-tetrahydro-3H-inden-1-yl)silane
CID 20749060
manganese;2,3,4,5,6,7,8,9-octahydro-1H-fluorene
CID 174386744
6-methylbicyclo[3.2.0]hepta-1(5),6-diene
CID 91189897
6-methyl-1,2,3,5-tetrahydro-as-indacene
CID 141475755
2-methyl-4,5,6,7-tetrahydroinden-1-one
CID 142636804

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-4,5,6,7-tetrahydro-1H-indene?
The IUPAC name of ethane;3-methyl-4,5,6,7-tetrahydro-1H-indene (CID 142044962) is ethane;3-methyl-4,5,6,7-tetrahydro-1H-indene.
What is the SMILES notation for ethane;3-methyl-4,5,6,7-tetrahydro-1H-indene?
The canonical SMILES for ethane;3-methyl-4,5,6,7-tetrahydro-1H-indene is CC.CC1=CCC2=C1CCCC2.
What is the InChIKey of ethane;3-methyl-4,5,6,7-tetrahydro-1H-indene?
The InChIKey is SDSRDCGJUNYHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C2H6/c1-8-6-7-9-4-2-3-5-10(8)9;1-2/h6H,2-5,7H2,1H3;1-2H3.
What are the key properties of ethane;3-methyl-4,5,6,7-tetrahydro-1H-indene?
ethane;3-methyl-4,5,6,7-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;3-methyl-4,5,6,7-tetrahydro-1H-indene is sourced from PubChem (CID 142044962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).