1-chloro-5-(2-methoxyethylsulfanyl)pentane

C8H17ClOS — CID 43445841

IUPAC1-chloro-5-(2-methoxyethylsulfanyl)pentane
SMILESCOCCSCCCCCCl
InChIInChI=1S/C8H17ClOS/c1-10-6-8-11-7-4-2-3-5-9/h2-8H2,1H3
InChIKeyCRBURBXLMRRVPN-UHFFFAOYSA-N
MW196.74 g/mol
LogP2.78
Rot. Bonds8

About 1-chloro-5-(2-methoxyethylsulfanyl)pentane

1-chloro-5-(2-methoxyethylsulfanyl)pentane (PubChem CID 43445841) has the molecular formula C8H17ClOS and a molecular weight of 196.74 g/mol. Its IUPAC name is 1-chloro-5-(2-methoxyethylsulfanyl)pentane.

Molecular Properties

Compound Name1-chloro-5-(2-methoxyethylsulfanyl)pentane
PubChem CID43445841
Molecular FormulaC8H17ClOS
Molecular Weight196.74 g/mol
Exact Mass196.07
IUPAC Name1-chloro-5-(2-methoxyethylsulfanyl)pentane
SMILESCOCCSCCCCCCl
InChIInChI=1S/C8H17ClOS/c1-10-6-8-11-7-4-2-3-5-9/h2-8H2,1H3
InChIKeyCRBURBXLMRRVPN-UHFFFAOYSA-N
XLogP2.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.74
LogP ≤ 52.78
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-Chloro-5-(methoxymethylsulfanyl)pentane
CID 22568222
1-Chloro-6-(methoxymethylsulfanyl)hexane
CID 22568240
1-(3-Chloro-3-methoxypropyl)sulfanylbutane
CID 134402266
1-(2-Chloro-3-methoxypropyl)sulfanylbutane
CID 154104282
2-Chloro-1-propan-2-ylsulfanyl-3-propoxypropane
CID 163421600
1-[1-(1-Butylsulfanyl-3-chloropropoxy)-3-chloropropyl]sulfanylbutane
CID 175310196
1-Chloro-3-(2-methoxyethylsulfanyl)propane
CID 43445840
1-Chloro-5-(2-methoxyethylsulfonyl)pentane
CID 43445959
2-(1-Chloro-2-methoxybutyl)sulfanylpentane
CID 53476482
3-(1-Chloro-2-methoxypropyl)sulfanylpentane
CID 53476483
2-(1-Chloro-2-methoxyethyl)sulfanylpentane
CID 53476484
1-(1-Chloro-2-methoxybutyl)sulfanylhexane
CID 53476485

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-(2-methoxyethylsulfanyl)pentane?
The IUPAC name of 1-chloro-5-(2-methoxyethylsulfanyl)pentane (CID 43445841) is 1-chloro-5-(2-methoxyethylsulfanyl)pentane.
What is the SMILES notation for 1-chloro-5-(2-methoxyethylsulfanyl)pentane?
The canonical SMILES for 1-chloro-5-(2-methoxyethylsulfanyl)pentane is COCCSCCCCCCl.
What is the InChIKey of 1-chloro-5-(2-methoxyethylsulfanyl)pentane?
The InChIKey is CRBURBXLMRRVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClOS/c1-10-6-8-11-7-4-2-3-5-9/h2-8H2,1H3.
What are the key properties of 1-chloro-5-(2-methoxyethylsulfanyl)pentane?
1-chloro-5-(2-methoxyethylsulfanyl)pentane has a molecular weight of 196.74 g/mol, XLogP of 2.78, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-(2-methoxyethylsulfanyl)pentane is sourced from PubChem (CID 43445841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).