6,7-dimethyl-1,2-dihydronaphthalene;ethane;2-methylnaphthalene

C29H42 — CID 144871928

IUPAC6,7-dimethyl-1,2-dihydronaphthalene;ethane;2-methylnaphthalene
SMILESCC.CC.CC.Cc1cc2c(cc1C)CCC=C2.Cc1ccc2ccccc2c1
InChIInChI=1S/C12H14.C11H10.3C2H6/c1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-9-6-7-10-4-2-3-5-11(10)8-9;3*1-2/h3,5,7-8H,4,6H2,1-2H3;2-8H,1H3;3*1-2H3
InChIKeyLSVPJOVQYADQEA-UHFFFAOYSA-N
MW390.66 g/mol
LogP9.49
Rot. Bonds

About 6,7-dimethyl-1,2-dihydronaphthalene;ethane;2-methylnaphthalene

6,7-dimethyl-1,2-dihydronaphthalene;ethane;2-methylnaphthalene (PubChem CID 144871928) has the molecular formula C29H42 and a molecular weight of 390.66 g/mol. Its IUPAC name is 6,7-dimethyl-1,2-dihydronaphthalene;ethane;2-methylnaphthalene.

Molecular Properties

Compound Name6,7-dimethyl-1,2-dihydronaphthalene;ethane;2-methylnaphthalene
PubChem CID144871928
Molecular FormulaC29H42
Molecular Weight390.66 g/mol
Exact Mass390.33
IUPAC Name6,7-dimethyl-1,2-dihydronaphthalene;ethane;2-methylnaphthalene
SMILESCC.CC.CC.Cc1cc2c(cc1C)CCC=C2.Cc1ccc2ccccc2c1
InChIInChI=1S/C12H14.C11H10.3C2H6/c1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-9-6-7-10-4-2-3-5-11(10)8-9;3*1-2/h3,5,7-8H,4,6H2,1-2H3;2-8H,1H3;3*1-2H3
InChIKeyLSVPJOVQYADQEA-UHFFFAOYSA-N
XLogP9.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.66
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-1,2-dihydronaphthalene;ethane;2-methylnaphthalene?
The IUPAC name of 6,7-dimethyl-1,2-dihydronaphthalene;ethane;2-methylnaphthalene (CID 144871928) is 6,7-dimethyl-1,2-dihydronaphthalene;ethane;2-methylnaphthalene.
What is the SMILES notation for 6,7-dimethyl-1,2-dihydronaphthalene;ethane;2-methylnaphthalene?
The canonical SMILES for 6,7-dimethyl-1,2-dihydronaphthalene;ethane;2-methylnaphthalene is CC.CC.CC.Cc1cc2c(cc1C)CCC=C2.Cc1ccc2ccccc2c1.
What is the InChIKey of 6,7-dimethyl-1,2-dihydronaphthalene;ethane;2-methylnaphthalene?
The InChIKey is LSVPJOVQYADQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14.C11H10.3C2H6/c1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-9-6-7-10-4-2-3-5-11(10)8-9;3*1-2/h3,5,7-8H,4,6H2,1-2H3;2-8H,1H3;3*1-2H3.
What are the key properties of 6,7-dimethyl-1,2-dihydronaphthalene;ethane;2-methylnaphthalene?
6,7-dimethyl-1,2-dihydronaphthalene;ethane;2-methylnaphthalene has a molecular weight of 390.66 g/mol, XLogP of 9.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-1,2-dihydronaphthalene;ethane;2-methylnaphthalene is sourced from PubChem (CID 144871928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).