ethane;5-methyl-2,3-dihydronaphthalene

C13H18 — CID 142971793

IUPACethane;5-methyl-2,3-dihydronaphthalene
SMILESCC.Cc1cccc2c1=CCCC=2
InChIInChI=1S/C11H12.C2H6/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-2/h4-8H,2-3H2,1H3;1-2H3
InChIKeyFXJGQALJRWOVLE-UHFFFAOYSA-N
MW174.29 g/mol
LogP2.38
Rot. Bonds

About ethane;5-methyl-2,3-dihydronaphthalene

ethane;5-methyl-2,3-dihydronaphthalene (PubChem CID 142971793) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is ethane;5-methyl-2,3-dihydronaphthalene.

Molecular Properties

Compound Nameethane;5-methyl-2,3-dihydronaphthalene
PubChem CID142971793
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Nameethane;5-methyl-2,3-dihydronaphthalene
SMILESCC.Cc1cccc2c1=CCCC=2
InChIInChI=1S/C11H12.C2H6/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-2/h4-8H,2-3H2,1H3;1-2H3
InChIKeyFXJGQALJRWOVLE-UHFFFAOYSA-N
XLogP2.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 174677530
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CID 101015873
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CID 175049581

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-2,3-dihydronaphthalene?
The IUPAC name of ethane;5-methyl-2,3-dihydronaphthalene (CID 142971793) is ethane;5-methyl-2,3-dihydronaphthalene.
What is the SMILES notation for ethane;5-methyl-2,3-dihydronaphthalene?
The canonical SMILES for ethane;5-methyl-2,3-dihydronaphthalene is CC.Cc1cccc2c1=CCCC=2.
What is the InChIKey of ethane;5-methyl-2,3-dihydronaphthalene?
The InChIKey is FXJGQALJRWOVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12.C2H6/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-2/h4-8H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;5-methyl-2,3-dihydronaphthalene?
ethane;5-methyl-2,3-dihydronaphthalene has a molecular weight of 174.29 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-2,3-dihydronaphthalene is sourced from PubChem (CID 142971793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).