ethane;1-(2-octylsulfanylethyl)naphthalene

C22H34S — CID 144939403

IUPACethane;1-(2-octylsulfanylethyl)naphthalene
SMILESCC.CCCCCCCCSCCc1cccc2ccccc12
InChIInChI=1S/C20H28S.C2H6/c1-2-3-4-5-6-9-16-21-17-15-19-13-10-12-18-11-7-8-14-20(18)19;1-2/h7-8,10-14H,2-6,9,15-17H2,1H3;1-2H3
InChIKeyRBZVGXSDAZLGDN-UHFFFAOYSA-N
MW330.58 g/mol
LogP7.50
Rot. Bonds10

About ethane;1-(2-octylsulfanylethyl)naphthalene

ethane;1-(2-octylsulfanylethyl)naphthalene (PubChem CID 144939403) has the molecular formula C22H34S and a molecular weight of 330.58 g/mol. Its IUPAC name is ethane;1-(2-octylsulfanylethyl)naphthalene.

Molecular Properties

Compound Nameethane;1-(2-octylsulfanylethyl)naphthalene
PubChem CID144939403
Molecular FormulaC22H34S
Molecular Weight330.58 g/mol
Exact Mass330.24
IUPAC Nameethane;1-(2-octylsulfanylethyl)naphthalene
SMILESCC.CCCCCCCCSCCc1cccc2ccccc12
InChIInChI=1S/C20H28S.C2H6/c1-2-3-4-5-6-9-16-21-17-15-19-13-10-12-18-11-7-8-14-20(18)19;1-2/h7-8,10-14H,2-6,9,15-17H2,1H3;1-2H3
InChIKeyRBZVGXSDAZLGDN-UHFFFAOYSA-N
XLogP7.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.58
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-octylsulfanylethyl)naphthalene
CID 118389705
1-tetradecylnaphthalene
CID 14402128
1-butylnaphthalene;ethane
CID 142087052
potassium;hydride;1-octylnaphthalene
CID 173443599
azane;1-butylnaphthalene;methane
CID 174691035
1-[(E)-icos-9-enyl]naphthalene
CID 101307696
1-[(E)-heptadec-3-enyl]naphthalene
CID 101307582
1-nonylnaphthalene;sulfuric acid
CID 172712573
1-octadecylnaphthalene;sulfuric acid
CID 172709808
1-[(E)-heptadec-10-enyl]naphthalene
CID 101307596
1-[(E)-docos-3-enyl]naphthalene
CID 101307762
1-[(E)-pentadec-7-enyl]naphthalene
CID 101307533

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-octylsulfanylethyl)naphthalene?
The IUPAC name of ethane;1-(2-octylsulfanylethyl)naphthalene (CID 144939403) is ethane;1-(2-octylsulfanylethyl)naphthalene.
What is the SMILES notation for ethane;1-(2-octylsulfanylethyl)naphthalene?
The canonical SMILES for ethane;1-(2-octylsulfanylethyl)naphthalene is CC.CCCCCCCCSCCc1cccc2ccccc12.
What is the InChIKey of ethane;1-(2-octylsulfanylethyl)naphthalene?
The InChIKey is RBZVGXSDAZLGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28S.C2H6/c1-2-3-4-5-6-9-16-21-17-15-19-13-10-12-18-11-7-8-14-20(18)19;1-2/h7-8,10-14H,2-6,9,15-17H2,1H3;1-2H3.
What are the key properties of ethane;1-(2-octylsulfanylethyl)naphthalene?
ethane;1-(2-octylsulfanylethyl)naphthalene has a molecular weight of 330.58 g/mol, XLogP of 7.50, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-octylsulfanylethyl)naphthalene is sourced from PubChem (CID 144939403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).