2-(3-methoxy-3-methylbutyl)sulfanylethanol

C8H18O2S — CID 102975050

IUPAC2-(3-methoxy-3-methylbutyl)sulfanylethanol
SMILESCOC(C)(C)CCSCCO
InChIInChI=1S/C8H18O2S/c1-8(2,10-3)4-6-11-7-5-9/h9H,4-7H2,1-3H3
InChIKeyGMIHRHQKSXQGMU-UHFFFAOYSA-N
MW178.30 g/mol
LogP1.53
Rot. Bonds6

About 2-(3-methoxy-3-methylbutyl)sulfanylethanol

2-(3-methoxy-3-methylbutyl)sulfanylethanol (PubChem CID 102975050) has the molecular formula C8H18O2S and a molecular weight of 178.30 g/mol. Its IUPAC name is 2-(3-methoxy-3-methylbutyl)sulfanylethanol.

Molecular Properties

Compound Name2-(3-methoxy-3-methylbutyl)sulfanylethanol
PubChem CID102975050
Molecular FormulaC8H18O2S
Molecular Weight178.30 g/mol
Exact Mass178.10
IUPAC Name2-(3-methoxy-3-methylbutyl)sulfanylethanol
SMILESCOC(C)(C)CCSCCO
InChIInChI=1S/C8H18O2S/c1-8(2,10-3)4-6-11-7-5-9/h9H,4-7H2,1-3H3
InChIKeyGMIHRHQKSXQGMU-UHFFFAOYSA-N
XLogP1.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-3-methylbutan-1-ol;hydrate
CID 141489643
copper;3-methoxy-3-methylbutan-1-ol
CID 87410693
3-(3-methoxy-3-methylbutyl)sulfanylbutan-1-ol
CID 103034816
2,5-dimethoxy-2,5-dimethylhexane
CID 552009
2-[1-[(3-methoxy-3-methylbutyl)sulfanylmethyl]cyclopropyl]acetic acid
CID 103032609
7-methoxy-7-methyloctan-1-ol
CID 175444354
methyl 2-[1-[(3-methoxy-3-methylbutyl)sulfanylmethyl]cyclopropyl]acetate
CID 107776455
2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]ethanol
CID 104565079
5-methoxy-2,5-dimethylhexan-2-ol
CID 21053495
2-(2-trimethoxysilylethylsulfanyl)ethanol
CID 71335611
4-(3-methoxy-3-methylbutoxy)-4-methylpentan-1-ol
CID 170009716
5-[(3-methoxy-3-methylbutyl)amino]-4,4-dimethylpentan-1-ol
CID 106144667

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-3-methylbutyl)sulfanylethanol?
The IUPAC name of 2-(3-methoxy-3-methylbutyl)sulfanylethanol (CID 102975050) is 2-(3-methoxy-3-methylbutyl)sulfanylethanol.
What is the SMILES notation for 2-(3-methoxy-3-methylbutyl)sulfanylethanol?
The canonical SMILES for 2-(3-methoxy-3-methylbutyl)sulfanylethanol is COC(C)(C)CCSCCO.
What is the InChIKey of 2-(3-methoxy-3-methylbutyl)sulfanylethanol?
The InChIKey is GMIHRHQKSXQGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2S/c1-8(2,10-3)4-6-11-7-5-9/h9H,4-7H2,1-3H3.
What are the key properties of 2-(3-methoxy-3-methylbutyl)sulfanylethanol?
2-(3-methoxy-3-methylbutyl)sulfanylethanol has a molecular weight of 178.30 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-3-methylbutyl)sulfanylethanol is sourced from PubChem (CID 102975050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).