2-(4-propan-2-ylsulfanylbutoxy)naphthalene

C17H22OS — CID 2237929

IUPAC2-(4-propan-2-ylsulfanylbutoxy)naphthalene
SMILESCC(C)SCCCCOc1ccc2ccccc2c1
InChIInChI=1S/C17H22OS/c1-14(2)19-12-6-5-11-18-17-10-9-15-7-3-4-8-16(15)13-17/h3-4,7-10,13-14H,5-6,11-12H2,1-2H3
InChIKeyHVIUVODRANSTIS-UHFFFAOYSA-N
MW274.43 g/mol
LogP5.14
Rot. Bonds7

About 2-(4-propan-2-ylsulfanylbutoxy)naphthalene

2-(4-propan-2-ylsulfanylbutoxy)naphthalene (PubChem CID 2237929) has the molecular formula C17H22OS and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-(4-propan-2-ylsulfanylbutoxy)naphthalene.

Molecular Properties

Compound Name2-(4-propan-2-ylsulfanylbutoxy)naphthalene
PubChem CID2237929
Molecular FormulaC17H22OS
Molecular Weight274.43 g/mol
Exact Mass274.14
IUPAC Name2-(4-propan-2-ylsulfanylbutoxy)naphthalene
SMILESCC(C)SCCCCOc1ccc2ccccc2c1
InChIInChI=1S/C17H22OS/c1-14(2)19-12-6-5-11-18-17-10-9-15-7-3-4-8-16(15)13-17/h3-4,7-10,13-14H,5-6,11-12H2,1-2H3
InChIKeyHVIUVODRANSTIS-UHFFFAOYSA-N
XLogP5.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.43
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylsulfanylbutoxy)naphthalene?
The IUPAC name of 2-(4-propan-2-ylsulfanylbutoxy)naphthalene (CID 2237929) is 2-(4-propan-2-ylsulfanylbutoxy)naphthalene.
What is the SMILES notation for 2-(4-propan-2-ylsulfanylbutoxy)naphthalene?
The canonical SMILES for 2-(4-propan-2-ylsulfanylbutoxy)naphthalene is CC(C)SCCCCOc1ccc2ccccc2c1.
What is the InChIKey of 2-(4-propan-2-ylsulfanylbutoxy)naphthalene?
The InChIKey is HVIUVODRANSTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22OS/c1-14(2)19-12-6-5-11-18-17-10-9-15-7-3-4-8-16(15)13-17/h3-4,7-10,13-14H,5-6,11-12H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylsulfanylbutoxy)naphthalene?
2-(4-propan-2-ylsulfanylbutoxy)naphthalene has a molecular weight of 274.43 g/mol, XLogP of 5.14, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylsulfanylbutoxy)naphthalene is sourced from PubChem (CID 2237929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).