5-[2-(3-methoxypropoxy)ethoxy]-3-methylpentane-1-thiol

C12H26O3S — CID 103176253

IUPAC5-[2-(3-methoxypropoxy)ethoxy]-3-methylpentane-1-thiol
SMILESCOCCCOCCOCCC(C)CCS
InChIInChI=1S/C12H26O3S/c1-12(5-11-16)4-8-15-10-9-14-7-3-6-13-2/h12,16H,3-11H2,1-2H3
InChIKeySFZZQJFGYFKIFW-UHFFFAOYSA-N
MW250.40 g/mol
LogP2.40
Rot. Bonds12

About 5-[2-(3-methoxypropoxy)ethoxy]-3-methylpentane-1-thiol

5-[2-(3-methoxypropoxy)ethoxy]-3-methylpentane-1-thiol (PubChem CID 103176253) has the molecular formula C12H26O3S and a molecular weight of 250.40 g/mol. Its IUPAC name is 5-[2-(3-methoxypropoxy)ethoxy]-3-methylpentane-1-thiol.

Molecular Properties

Compound Name5-[2-(3-methoxypropoxy)ethoxy]-3-methylpentane-1-thiol
PubChem CID103176253
Molecular FormulaC12H26O3S
Molecular Weight250.40 g/mol
Exact Mass250.16
IUPAC Name5-[2-(3-methoxypropoxy)ethoxy]-3-methylpentane-1-thiol
SMILESCOCCCOCCOCCC(C)CCS
InChIInChI=1S/C12H26O3S/c1-12(5-11-16)4-8-15-10-9-14-7-3-6-13-2/h12,16H,3-11H2,1-2H3
InChIKeySFZZQJFGYFKIFW-UHFFFAOYSA-N
XLogP2.40
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.40
LogP ≤ 52.40
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-(3-methoxypropoxy)-3-methylbutane
CID 18925853
9-[2-(3-methoxypropoxy)ethoxy]nonane-1-thiol
CID 103176254
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
1-bromo-5-[2-(2-methoxyethoxy)ethoxy]-3-methylpentane
CID 104561196
1-[3-[3-(3,7-dimethyloctoxy)propoxy]propoxy]-3,7-dimethyloctane
CID 58682905
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylpentane
CID 126547555
6-[2-(3-methoxypropoxy)ethoxy]hexan-2-amine
CID 103177211
3,5,5-trimethyl-1-[3-[3-[3-(3,5,5-trimethylhexoxy)propoxy]propoxy]propoxy]hexane
CID 58682902
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentane
CID 58473516
3-[5-(3-aminopropoxy)-3-methylpentoxy]propan-1-amine
CID 6454523
(2S)-1-[2-(3-methoxypropoxy)ethoxy]propan-2-ol
CID 103179631
1-methoxy-8-[3-[5-(2-methoxyethoxy)pentoxy]-2-methylpropoxy]octane
CID 129036094

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-methoxypropoxy)ethoxy]-3-methylpentane-1-thiol?
The IUPAC name of 5-[2-(3-methoxypropoxy)ethoxy]-3-methylpentane-1-thiol (CID 103176253) is 5-[2-(3-methoxypropoxy)ethoxy]-3-methylpentane-1-thiol.
What is the SMILES notation for 5-[2-(3-methoxypropoxy)ethoxy]-3-methylpentane-1-thiol?
The canonical SMILES for 5-[2-(3-methoxypropoxy)ethoxy]-3-methylpentane-1-thiol is COCCCOCCOCCC(C)CCS.
What is the InChIKey of 5-[2-(3-methoxypropoxy)ethoxy]-3-methylpentane-1-thiol?
The InChIKey is SFZZQJFGYFKIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3S/c1-12(5-11-16)4-8-15-10-9-14-7-3-6-13-2/h12,16H,3-11H2,1-2H3.
What are the key properties of 5-[2-(3-methoxypropoxy)ethoxy]-3-methylpentane-1-thiol?
5-[2-(3-methoxypropoxy)ethoxy]-3-methylpentane-1-thiol has a molecular weight of 250.40 g/mol, XLogP of 2.40, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-methoxypropoxy)ethoxy]-3-methylpentane-1-thiol is sourced from PubChem (CID 103176253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).