9-[2-(3-methoxypropoxy)ethoxy]nonane-1-thiol

C15H32O3S — CID 103176254

IUPAC9-[2-(3-methoxypropoxy)ethoxy]nonane-1-thiol
SMILESCOCCCOCCOCCCCCCCCCS
InChIInChI=1S/C15H32O3S/c1-16-10-9-12-18-14-13-17-11-7-5-3-2-4-6-8-15-19/h19H,2-15H2,1H3
InChIKeyRCIMZDUEGARPHU-UHFFFAOYSA-N
MW292.49 g/mol
LogP3.72
Rot. Bonds16

About 9-[2-(3-methoxypropoxy)ethoxy]nonane-1-thiol

9-[2-(3-methoxypropoxy)ethoxy]nonane-1-thiol (PubChem CID 103176254) has the molecular formula C15H32O3S and a molecular weight of 292.49 g/mol. Its IUPAC name is 9-[2-(3-methoxypropoxy)ethoxy]nonane-1-thiol.

Molecular Properties

Compound Name9-[2-(3-methoxypropoxy)ethoxy]nonane-1-thiol
PubChem CID103176254
Molecular FormulaC15H32O3S
Molecular Weight292.49 g/mol
Exact Mass292.21
IUPAC Name9-[2-(3-methoxypropoxy)ethoxy]nonane-1-thiol
SMILESCOCCCOCCOCCCCCCCCCS
InChIInChI=1S/C15H32O3S/c1-16-10-9-12-18-14-13-17-11-7-5-3-2-4-6-8-15-19/h19H,2-15H2,1H3
InChIKeyRCIMZDUEGARPHU-UHFFFAOYSA-N
XLogP3.72
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-6-(6-methoxyhexoxy)hexane
CID 154493017
1,8-bis(2-methoxyethoxy)octane
CID 143118909
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
1-methoxy-6-[3-(3-methoxypropoxy)-2,2-bis(3-methoxypropoxymethyl)propoxy]hexane
CID 156683117
6-[2-(2-methylpropoxy)ethoxy]hexane-1-thiol
CID 106451165
5-[2-(3-methoxypropoxy)ethoxy]-3-methylpentane-1-thiol
CID 103176253
1-(3-ethoxypropoxy)-4-methoxybutane
CID 59660847
6-[3-(2-methoxyethoxy)propoxy]hexan-1-amine
CID 103406276
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanethiol
CID 86092592
3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 155650334
1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tetradecane
CID 102000806

Frequently Asked Questions

What is the IUPAC name of 9-[2-(3-methoxypropoxy)ethoxy]nonane-1-thiol?
The IUPAC name of 9-[2-(3-methoxypropoxy)ethoxy]nonane-1-thiol (CID 103176254) is 9-[2-(3-methoxypropoxy)ethoxy]nonane-1-thiol.
What is the SMILES notation for 9-[2-(3-methoxypropoxy)ethoxy]nonane-1-thiol?
The canonical SMILES for 9-[2-(3-methoxypropoxy)ethoxy]nonane-1-thiol is COCCCOCCOCCCCCCCCCS.
What is the InChIKey of 9-[2-(3-methoxypropoxy)ethoxy]nonane-1-thiol?
The InChIKey is RCIMZDUEGARPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O3S/c1-16-10-9-12-18-14-13-17-11-7-5-3-2-4-6-8-15-19/h19H,2-15H2,1H3.
What are the key properties of 9-[2-(3-methoxypropoxy)ethoxy]nonane-1-thiol?
9-[2-(3-methoxypropoxy)ethoxy]nonane-1-thiol has a molecular weight of 292.49 g/mol, XLogP of 3.72, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(3-methoxypropoxy)ethoxy]nonane-1-thiol is sourced from PubChem (CID 103176254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).