ethane;2-ethylnaphthalene;methane;1-methylnaphthalene

C29H44 — CID 144603331

IUPACethane;2-ethylnaphthalene;methane;1-methylnaphthalene
SMILESC.C.C.C.CC.CCc1ccc2ccccc2c1.Cc1cccc2ccccc12
InChIInChI=1S/C12H12.C11H10.C2H6.4CH4/c1-2-10-7-8-11-5-3-4-6-12(11)9-10;1-9-5-4-7-10-6-2-3-8-11(9)10;1-2;;;;/h3-9H,2H2,1H3;2-8H,1H3;1-2H3;4*1H4
InChIKeyJQXOLFFUHYICJG-UHFFFAOYSA-N
MW392.67 g/mol
LogP10.12
Rot. Bonds1

About ethane;2-ethylnaphthalene;methane;1-methylnaphthalene

ethane;2-ethylnaphthalene;methane;1-methylnaphthalene (PubChem CID 144603331) has the molecular formula C29H44 and a molecular weight of 392.67 g/mol. Its IUPAC name is ethane;2-ethylnaphthalene;methane;1-methylnaphthalene.

Molecular Properties

Compound Nameethane;2-ethylnaphthalene;methane;1-methylnaphthalene
PubChem CID144603331
Molecular FormulaC29H44
Molecular Weight392.67 g/mol
Exact Mass392.34
IUPAC Nameethane;2-ethylnaphthalene;methane;1-methylnaphthalene
SMILESC.C.C.C.CC.CCc1ccc2ccccc2c1.Cc1cccc2ccccc12
InChIInChI=1S/C12H12.C11H10.C2H6.4CH4/c1-2-10-7-8-11-5-3-4-6-12(11)9-10;1-9-5-4-7-10-6-2-3-8-11(9)10;1-2;;;;/h3-9H,2H2,1H3;2-8H,1H3;1-2H3;4*1H4
InChIKeyJQXOLFFUHYICJG-UHFFFAOYSA-N
XLogP10.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.67
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethylnaphthalene;methane;1-methylnaphthalene?
The IUPAC name of ethane;2-ethylnaphthalene;methane;1-methylnaphthalene (CID 144603331) is ethane;2-ethylnaphthalene;methane;1-methylnaphthalene.
What is the SMILES notation for ethane;2-ethylnaphthalene;methane;1-methylnaphthalene?
The canonical SMILES for ethane;2-ethylnaphthalene;methane;1-methylnaphthalene is C.C.C.C.CC.CCc1ccc2ccccc2c1.Cc1cccc2ccccc12.
What is the InChIKey of ethane;2-ethylnaphthalene;methane;1-methylnaphthalene?
The InChIKey is JQXOLFFUHYICJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12.C11H10.C2H6.4CH4/c1-2-10-7-8-11-5-3-4-6-12(11)9-10;1-9-5-4-7-10-6-2-3-8-11(9)10;1-2;;;;/h3-9H,2H2,1H3;2-8H,1H3;1-2H3;4*1H4.
What are the key properties of ethane;2-ethylnaphthalene;methane;1-methylnaphthalene?
ethane;2-ethylnaphthalene;methane;1-methylnaphthalene has a molecular weight of 392.67 g/mol, XLogP of 10.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethylnaphthalene;methane;1-methylnaphthalene is sourced from PubChem (CID 144603331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).