1-chloro-2-(2-hexylsulfanylethoxy)cyclopentane

C13H25ClOS — CID 3363599

IUPAC1-chloro-2-(2-hexylsulfanylethoxy)cyclopentane
SMILESCCCCCCSCCOC1CCCC1Cl
InChIInChI=1S/C13H25ClOS/c1-2-3-4-5-10-16-11-9-15-13-8-6-7-12(13)14/h12-13H,2-11H2,1H3
InChIKeyWEZKFLVRFUVHRY-UHFFFAOYSA-N
MW264.86 g/mol
LogP4.48
Rot. Bonds9

About 1-chloro-2-(2-hexylsulfanylethoxy)cyclopentane

1-chloro-2-(2-hexylsulfanylethoxy)cyclopentane (PubChem CID 3363599) has the molecular formula C13H25ClOS and a molecular weight of 264.86 g/mol. Its IUPAC name is 1-chloro-2-(2-hexylsulfanylethoxy)cyclopentane.

Molecular Properties

Compound Name1-chloro-2-(2-hexylsulfanylethoxy)cyclopentane
PubChem CID3363599
Molecular FormulaC13H25ClOS
Molecular Weight264.86 g/mol
Exact Mass264.13
IUPAC Name1-chloro-2-(2-hexylsulfanylethoxy)cyclopentane
SMILESCCCCCCSCCOC1CCCC1Cl
InChIInChI=1S/C13H25ClOS/c1-2-3-4-5-10-16-11-9-15-13-8-6-7-12(13)14/h12-13H,2-11H2,1H3
InChIKeyWEZKFLVRFUVHRY-UHFFFAOYSA-N
XLogP4.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.86
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-octylsulfanylethoxy)ethylsulfanyl]octane
CID 175705255
1-hexylsulfanyloctadecane
CID 21424485
1-octadecylsulfanyloctacosane
CID 87077538
1-hexylsulfanyl-8-pentylsulfanyloctane
CID 167032436
1-nonylsulfanyldodecane
CID 87077738
1-dodecylsulfanylicosane
CID 87077505
1-tetracosylsulfanyloctacosane
CID 87077758
1-hexylsulfanyloctane
CID 15742910
1-hexylsulfanylicosane
CID 87077585
1-hexylsulfanyltetradecane
CID 87077491
1-tetracosylsulfanyltetracosane
CID 14647813
chlorocopper;1-heptylsulfanylheptane
CID 10991120

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2-hexylsulfanylethoxy)cyclopentane?
The IUPAC name of 1-chloro-2-(2-hexylsulfanylethoxy)cyclopentane (CID 3363599) is 1-chloro-2-(2-hexylsulfanylethoxy)cyclopentane.
What is the SMILES notation for 1-chloro-2-(2-hexylsulfanylethoxy)cyclopentane?
The canonical SMILES for 1-chloro-2-(2-hexylsulfanylethoxy)cyclopentane is CCCCCCSCCOC1CCCC1Cl.
What is the InChIKey of 1-chloro-2-(2-hexylsulfanylethoxy)cyclopentane?
The InChIKey is WEZKFLVRFUVHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25ClOS/c1-2-3-4-5-10-16-11-9-15-13-8-6-7-12(13)14/h12-13H,2-11H2,1H3.
What are the key properties of 1-chloro-2-(2-hexylsulfanylethoxy)cyclopentane?
1-chloro-2-(2-hexylsulfanylethoxy)cyclopentane has a molecular weight of 264.86 g/mol, XLogP of 4.48, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2-hexylsulfanylethoxy)cyclopentane is sourced from PubChem (CID 3363599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).