3-(3-methoxy-3-methylbutyl)sulfanylbutan-1-ol

C10H22O2S — CID 103034816

IUPAC3-(3-methoxy-3-methylbutyl)sulfanylbutan-1-ol
SMILESCOC(C)(C)CCSC(C)CCO
InChIInChI=1S/C10H22O2S/c1-9(5-7-11)13-8-6-10(2,3)12-4/h9,11H,5-8H2,1-4H3
InChIKeyFQTOCIHNRBTMQM-UHFFFAOYSA-N
MW206.35 g/mol
LogP2.31
Rot. Bonds7

About 3-(3-methoxy-3-methylbutyl)sulfanylbutan-1-ol

3-(3-methoxy-3-methylbutyl)sulfanylbutan-1-ol (PubChem CID 103034816) has the molecular formula C10H22O2S and a molecular weight of 206.35 g/mol. Its IUPAC name is 3-(3-methoxy-3-methylbutyl)sulfanylbutan-1-ol.

Molecular Properties

Compound Name3-(3-methoxy-3-methylbutyl)sulfanylbutan-1-ol
PubChem CID103034816
Molecular FormulaC10H22O2S
Molecular Weight206.35 g/mol
Exact Mass206.13
IUPAC Name3-(3-methoxy-3-methylbutyl)sulfanylbutan-1-ol
SMILESCOC(C)(C)CCSC(C)CCO
InChIInChI=1S/C10H22O2S/c1-9(5-7-11)13-8-6-10(2,3)12-4/h9,11H,5-8H2,1-4H3
InChIKeyFQTOCIHNRBTMQM-UHFFFAOYSA-N
XLogP2.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(4-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)butanoate
CID 66138649
2-(3-methoxy-3-methylbutyl)sulfanylethanol
CID 102975050
4-(4-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(propan-2-ylamino)butanoic acid
CID 66136634
4-(4-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)butanamide
CID 66138872
3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]butan-1-ol
CID 104565085
6-(4-hydroxybutan-2-ylsulfanyl)-2,2-dimethylhexanenitrile
CID 106712656
3-methoxy-3-methylbutan-1-ol;hydrate
CID 141489643
copper;3-methoxy-3-methylbutan-1-ol
CID 87410693
3-(ethoxymethylsulfanyl)butan-1-ol
CID 66138808
methyl 3-(4-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(propan-2-ylamino)propanoate
CID 66136846
methyl 4-(4-hydroxybutan-2-ylsulfanyl)-2-(methylamino)-2-phenylbutanoate
CID 116694773
N-tert-butyl-2-(4-hydroxybutan-2-ylsulfanyl)acetamide
CID 66136137

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-3-methylbutyl)sulfanylbutan-1-ol?
The IUPAC name of 3-(3-methoxy-3-methylbutyl)sulfanylbutan-1-ol (CID 103034816) is 3-(3-methoxy-3-methylbutyl)sulfanylbutan-1-ol.
What is the SMILES notation for 3-(3-methoxy-3-methylbutyl)sulfanylbutan-1-ol?
The canonical SMILES for 3-(3-methoxy-3-methylbutyl)sulfanylbutan-1-ol is COC(C)(C)CCSC(C)CCO.
What is the InChIKey of 3-(3-methoxy-3-methylbutyl)sulfanylbutan-1-ol?
The InChIKey is FQTOCIHNRBTMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2S/c1-9(5-7-11)13-8-6-10(2,3)12-4/h9,11H,5-8H2,1-4H3.
What are the key properties of 3-(3-methoxy-3-methylbutyl)sulfanylbutan-1-ol?
3-(3-methoxy-3-methylbutyl)sulfanylbutan-1-ol has a molecular weight of 206.35 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-3-methylbutyl)sulfanylbutan-1-ol is sourced from PubChem (CID 103034816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).