2-(2-cyclopentyloxypropylsulfanyl)naphthalene

C18H22OS — CID 71174962

IUPAC2-(2-cyclopentyloxypropylsulfanyl)naphthalene
SMILESCC(CSc1ccc2ccccc2c1)OC1CCCC1
InChIInChI=1S/C18H22OS/c1-14(19-17-8-4-5-9-17)13-20-18-11-10-15-6-2-3-7-16(15)12-18/h2-3,6-7,10-12,14,17H,4-5,8-9,13H2,1H3
InChIKeyHXGXTGOLJOZSIG-UHFFFAOYSA-N
MW286.44 g/mol
LogP5.28
Rot. Bonds5

About 2-(2-cyclopentyloxypropylsulfanyl)naphthalene

2-(2-cyclopentyloxypropylsulfanyl)naphthalene (PubChem CID 71174962) has the molecular formula C18H22OS and a molecular weight of 286.44 g/mol. Its IUPAC name is 2-(2-cyclopentyloxypropylsulfanyl)naphthalene.

Molecular Properties

Compound Name2-(2-cyclopentyloxypropylsulfanyl)naphthalene
PubChem CID71174962
Molecular FormulaC18H22OS
Molecular Weight286.44 g/mol
Exact Mass286.14
IUPAC Name2-(2-cyclopentyloxypropylsulfanyl)naphthalene
SMILESCC(CSc1ccc2ccccc2c1)OC1CCCC1
InChIInChI=1S/C18H22OS/c1-14(19-17-8-4-5-9-17)13-20-18-11-10-15-6-2-3-7-16(15)12-18/h2-3,6-7,10-12,14,17H,4-5,8-9,13H2,1H3
InChIKeyHXGXTGOLJOZSIG-UHFFFAOYSA-N
XLogP5.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.44
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentyloxypropylsulfanyl)naphthalene?
The IUPAC name of 2-(2-cyclopentyloxypropylsulfanyl)naphthalene (CID 71174962) is 2-(2-cyclopentyloxypropylsulfanyl)naphthalene.
What is the SMILES notation for 2-(2-cyclopentyloxypropylsulfanyl)naphthalene?
The canonical SMILES for 2-(2-cyclopentyloxypropylsulfanyl)naphthalene is CC(CSc1ccc2ccccc2c1)OC1CCCC1.
What is the InChIKey of 2-(2-cyclopentyloxypropylsulfanyl)naphthalene?
The InChIKey is HXGXTGOLJOZSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22OS/c1-14(19-17-8-4-5-9-17)13-20-18-11-10-15-6-2-3-7-16(15)12-18/h2-3,6-7,10-12,14,17H,4-5,8-9,13H2,1H3.
What are the key properties of 2-(2-cyclopentyloxypropylsulfanyl)naphthalene?
2-(2-cyclopentyloxypropylsulfanyl)naphthalene has a molecular weight of 286.44 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentyloxypropylsulfanyl)naphthalene is sourced from PubChem (CID 71174962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).