ethane;5-ethyl-1,2,3,4-tetrahydronaphthalene;bis(6-methyl-1,2,3,4-tetrahydronaphthalene)

C36H50 — CID 142243189

IUPACethane;5-ethyl-1,2,3,4-tetrahydronaphthalene;bis(6-methyl-1,2,3,4-tetrahydronaphthalene)
SMILESCC.CCc1cccc2c1CCCC2.Cc1ccc2c(c1)CCCC2.Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C12H16.2C11H14.C2H6/c1-2-10-7-5-8-11-6-3-4-9-12(10)11;2*1-9-6-7-10-4-2-3-5-11(10)8-9;1-2/h5,7-8H,2-4,6,9H2,1H3;2*6-8H,2-5H2,1H3;1-2H3
InChIKeyMFTBCDWNUDPSIQ-UHFFFAOYSA-N
MW482.80 g/mol
LogP9.90
Rot. Bonds1

About ethane;5-ethyl-1,2,3,4-tetrahydronaphthalene;bis(6-methyl-1,2,3,4-tetrahydronaphthalene)

ethane;5-ethyl-1,2,3,4-tetrahydronaphthalene;bis(6-methyl-1,2,3,4-tetrahydronaphthalene) (PubChem CID 142243189) has the molecular formula C36H50 and a molecular weight of 482.80 g/mol. Its IUPAC name is ethane;5-ethyl-1,2,3,4-tetrahydronaphthalene;bis(6-methyl-1,2,3,4-tetrahydronaphthalene).

Molecular Properties

Compound Nameethane;5-ethyl-1,2,3,4-tetrahydronaphthalene;bis(6-methyl-1,2,3,4-tetrahydronaphthalene)
PubChem CID142243189
Molecular FormulaC36H50
Molecular Weight482.80 g/mol
Exact Mass482.39
IUPAC Nameethane;5-ethyl-1,2,3,4-tetrahydronaphthalene;bis(6-methyl-1,2,3,4-tetrahydronaphthalene)
SMILESCC.CCc1cccc2c1CCCC2.Cc1ccc2c(c1)CCCC2.Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C12H16.2C11H14.C2H6/c1-2-10-7-5-8-11-6-3-4-9-12(10)11;2*1-9-6-7-10-4-2-3-5-11(10)8-9;1-2/h5,7-8H,2-4,6,9H2,1H3;2*6-8H,2-5H2,1H3;1-2H3
InChIKeyMFTBCDWNUDPSIQ-UHFFFAOYSA-N
XLogP9.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.80
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-1,2,3,4-tetrahydronaphthalene;bis(6-methyl-1,2,3,4-tetrahydronaphthalene)?
The IUPAC name of ethane;5-ethyl-1,2,3,4-tetrahydronaphthalene;bis(6-methyl-1,2,3,4-tetrahydronaphthalene) (CID 142243189) is ethane;5-ethyl-1,2,3,4-tetrahydronaphthalene;bis(6-methyl-1,2,3,4-tetrahydronaphthalene).
What is the SMILES notation for ethane;5-ethyl-1,2,3,4-tetrahydronaphthalene;bis(6-methyl-1,2,3,4-tetrahydronaphthalene)?
The canonical SMILES for ethane;5-ethyl-1,2,3,4-tetrahydronaphthalene;bis(6-methyl-1,2,3,4-tetrahydronaphthalene) is CC.CCc1cccc2c1CCCC2.Cc1ccc2c(c1)CCCC2.Cc1ccc2c(c1)CCCC2.
What is the InChIKey of ethane;5-ethyl-1,2,3,4-tetrahydronaphthalene;bis(6-methyl-1,2,3,4-tetrahydronaphthalene)?
The InChIKey is MFTBCDWNUDPSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.2C11H14.C2H6/c1-2-10-7-5-8-11-6-3-4-9-12(10)11;2*1-9-6-7-10-4-2-3-5-11(10)8-9;1-2/h5,7-8H,2-4,6,9H2,1H3;2*6-8H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;5-ethyl-1,2,3,4-tetrahydronaphthalene;bis(6-methyl-1,2,3,4-tetrahydronaphthalene)?
ethane;5-ethyl-1,2,3,4-tetrahydronaphthalene;bis(6-methyl-1,2,3,4-tetrahydronaphthalene) has a molecular weight of 482.80 g/mol, XLogP of 9.90, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-1,2,3,4-tetrahydronaphthalene;bis(6-methyl-1,2,3,4-tetrahydronaphthalene) is sourced from PubChem (CID 142243189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).