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

C13H25ClOS — CID 18526978

IUPAC(1S)-1-chloro-2-(2-hexylsulfanylethoxy)cyclopentane
SMILESCCCCCCSCCOC1CCC[C@@H]1Cl
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/t12-,13?/m0/s1
InChIKeyWEZKFLVRFUVHRY-UEWDXFNNSA-N
MW264.86 g/mol
LogP4.48
Rot. Bonds9

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

(1S)-1-chloro-2-(2-hexylsulfanylethoxy)cyclopentane (PubChem CID 18526978) has the molecular formula C13H25ClOS and a molecular weight of 264.86 g/mol. Its IUPAC name is (1S)-1-chloro-2-(2-hexylsulfanylethoxy)cyclopentane.

Molecular Properties

Compound Name(1S)-1-chloro-2-(2-hexylsulfanylethoxy)cyclopentane
PubChem CID18526978
Molecular FormulaC13H25ClOS
Molecular Weight264.86 g/mol
Exact Mass264.13
IUPAC Name(1S)-1-chloro-2-(2-hexylsulfanylethoxy)cyclopentane
SMILESCCCCCCSCCOC1CCC[C@@H]1Cl
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/t12-,13?/m0/s1
InChIKeyWEZKFLVRFUVHRY-UEWDXFNNSA-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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Frequently Asked Questions

What is the IUPAC name of (1S)-1-chloro-2-(2-hexylsulfanylethoxy)cyclopentane?
The IUPAC name of (1S)-1-chloro-2-(2-hexylsulfanylethoxy)cyclopentane (CID 18526978) is (1S)-1-chloro-2-(2-hexylsulfanylethoxy)cyclopentane.
What is the SMILES notation for (1S)-1-chloro-2-(2-hexylsulfanylethoxy)cyclopentane?
The canonical SMILES for (1S)-1-chloro-2-(2-hexylsulfanylethoxy)cyclopentane is CCCCCCSCCOC1CCC[C@@H]1Cl.
What is the InChIKey of (1S)-1-chloro-2-(2-hexylsulfanylethoxy)cyclopentane?
The InChIKey is WEZKFLVRFUVHRY-UEWDXFNNSA-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/t12-,13?/m0/s1.
What are the key properties of (1S)-1-chloro-2-(2-hexylsulfanylethoxy)cyclopentane?
(1S)-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 (1S)-1-chloro-2-(2-hexylsulfanylethoxy)cyclopentane is sourced from PubChem (CID 18526978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).