ethane;4-methyl-1,2-dihydronaphthalene

C15H24 — CID 91604572

IUPACethane;4-methyl-1,2-dihydronaphthalene
SMILESCC.CC.CC1=CCCc2ccccc21
InChIInChI=1S/C11H12.2C2H6/c1-9-5-4-7-10-6-2-3-8-11(9)10;2*1-2/h2-3,5-6,8H,4,7H2,1H3;2*1-2H3
InChIKeyIEFIFLHSDSKZQC-UHFFFAOYSA-N
MW204.36 g/mol
LogP5.09
Rot. Bonds

About ethane;4-methyl-1,2-dihydronaphthalene

ethane;4-methyl-1,2-dihydronaphthalene (PubChem CID 91604572) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is ethane;4-methyl-1,2-dihydronaphthalene.

Molecular Properties

Compound Nameethane;4-methyl-1,2-dihydronaphthalene
PubChem CID91604572
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Nameethane;4-methyl-1,2-dihydronaphthalene
SMILESCC.CC.CC1=CCCc2ccccc21
InChIInChI=1S/C11H12.2C2H6/c1-9-5-4-7-10-6-2-3-8-11(9)10;2*1-2/h2-3,5-6,8H,4,7H2,1H3;2*1-2H3
InChIKeyIEFIFLHSDSKZQC-UHFFFAOYSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.36
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1,2-dihydronaphthalene?
The IUPAC name of ethane;4-methyl-1,2-dihydronaphthalene (CID 91604572) is ethane;4-methyl-1,2-dihydronaphthalene.
What is the SMILES notation for ethane;4-methyl-1,2-dihydronaphthalene?
The canonical SMILES for ethane;4-methyl-1,2-dihydronaphthalene is CC.CC.CC1=CCCc2ccccc21.
What is the InChIKey of ethane;4-methyl-1,2-dihydronaphthalene?
The InChIKey is IEFIFLHSDSKZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12.2C2H6/c1-9-5-4-7-10-6-2-3-8-11(9)10;2*1-2/h2-3,5-6,8H,4,7H2,1H3;2*1-2H3.
What are the key properties of ethane;4-methyl-1,2-dihydronaphthalene?
ethane;4-methyl-1,2-dihydronaphthalene has a molecular weight of 204.36 g/mol, XLogP of 5.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1,2-dihydronaphthalene is sourced from PubChem (CID 91604572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).