(1-cyclopentyloxy-2-methylsulfanylethyl)benzene

C14H20OS — CID 134860339

IUPAC(1-cyclopentyloxy-2-methylsulfanylethyl)benzene
SMILESCSCC(OC1CCCC1)c1ccccc1
InChIInChI=1S/C14H20OS/c1-16-11-14(12-7-3-2-4-8-12)15-13-9-5-6-10-13/h2-4,7-8,13-14H,5-6,9-11H2,1H3
InChIKeyZMTOVUBBLHBABS-UHFFFAOYSA-N
MW236.38 g/mol
LogP4.05
Rot. Bonds5

About (1-cyclopentyloxy-2-methylsulfanylethyl)benzene

(1-cyclopentyloxy-2-methylsulfanylethyl)benzene (PubChem CID 134860339) has the molecular formula C14H20OS and a molecular weight of 236.38 g/mol. Its IUPAC name is (1-cyclopentyloxy-2-methylsulfanylethyl)benzene.

Molecular Properties

Compound Name(1-cyclopentyloxy-2-methylsulfanylethyl)benzene
PubChem CID134860339
Molecular FormulaC14H20OS
Molecular Weight236.38 g/mol
Exact Mass236.12
IUPAC Name(1-cyclopentyloxy-2-methylsulfanylethyl)benzene
SMILESCSCC(OC1CCCC1)c1ccccc1
InChIInChI=1S/C14H20OS/c1-16-11-14(12-7-3-2-4-8-12)15-13-9-5-6-10-13/h2-4,7-8,13-14H,5-6,9-11H2,1H3
InChIKeyZMTOVUBBLHBABS-UHFFFAOYSA-N
XLogP4.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-cyclopentyloxy-2-methylsulfanylethyl)benzene?
The IUPAC name of (1-cyclopentyloxy-2-methylsulfanylethyl)benzene (CID 134860339) is (1-cyclopentyloxy-2-methylsulfanylethyl)benzene.
What is the SMILES notation for (1-cyclopentyloxy-2-methylsulfanylethyl)benzene?
The canonical SMILES for (1-cyclopentyloxy-2-methylsulfanylethyl)benzene is CSCC(OC1CCCC1)c1ccccc1.
What is the InChIKey of (1-cyclopentyloxy-2-methylsulfanylethyl)benzene?
The InChIKey is ZMTOVUBBLHBABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20OS/c1-16-11-14(12-7-3-2-4-8-12)15-13-9-5-6-10-13/h2-4,7-8,13-14H,5-6,9-11H2,1H3.
What are the key properties of (1-cyclopentyloxy-2-methylsulfanylethyl)benzene?
(1-cyclopentyloxy-2-methylsulfanylethyl)benzene has a molecular weight of 236.38 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopentyloxy-2-methylsulfanylethyl)benzene is sourced from PubChem (CID 134860339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).