1-methoxy-3-[(4-methoxy-2-methylbutan-2-yl)trisulfanyl]-3-methylbutane

C12H26O2S3 — CID 175881291

IUPAC1-methoxy-3-[(4-methoxy-2-methylbutan-2-yl)trisulfanyl]-3-methylbutane
SMILESCOCCC(C)(C)SSSC(C)(C)CCOC
InChIInChI=1S/C12H26O2S3/c1-11(2,7-9-13-5)15-17-16-12(3,4)8-10-14-6/h7-10H2,1-6H3
InChIKeyHSBJXVSVFIECTC-UHFFFAOYSA-N
MW298.54 g/mol
LogP4.65
Rot. Bonds10

About 1-methoxy-3-[(4-methoxy-2-methylbutan-2-yl)trisulfanyl]-3-methylbutane

1-methoxy-3-[(4-methoxy-2-methylbutan-2-yl)trisulfanyl]-3-methylbutane (PubChem CID 175881291) has the molecular formula C12H26O2S3 and a molecular weight of 298.54 g/mol. Its IUPAC name is 1-methoxy-3-[(4-methoxy-2-methylbutan-2-yl)trisulfanyl]-3-methylbutane.

Molecular Properties

Compound Name1-methoxy-3-[(4-methoxy-2-methylbutan-2-yl)trisulfanyl]-3-methylbutane
PubChem CID175881291
Molecular FormulaC12H26O2S3
Molecular Weight298.54 g/mol
Exact Mass298.11
IUPAC Name1-methoxy-3-[(4-methoxy-2-methylbutan-2-yl)trisulfanyl]-3-methylbutane
SMILESCOCCC(C)(C)SSSC(C)(C)CCOC
InChIInChI=1S/C12H26O2S3/c1-11(2,7-9-13-5)15-17-16-12(3,4)8-10-14-6/h7-10H2,1-6H3
InChIKeyHSBJXVSVFIECTC-UHFFFAOYSA-N
XLogP4.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.54
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-methoxy-3,3-dimethylbutane
CID 143141249
1,5-dimethoxy-3-methylpentan-3-amine
CID 114997128
1-methoxy-4-(4-methoxy-2-methylbutan-2-yl)sulfanylbenzene
CID 86117661
1-methoxy-3-(2-methoxyethyl)-3-methylhexane
CID 57212260
1,1,1,3-tetramethoxypropane
CID 10920853
1,5-dimethoxy-3-(2-methoxyethyl)pentan-3-ol
CID 54443930
1-methoxy-3,3-dimethylbutane;2,2,3-trimethylbutane
CID 158785130
3-ethyl-1-methoxy-3-methylsulfanylpentane
CID 170037969
5-methoxy-3-methylpent-1-yn-3-ol
CID 13304240
4-methoxy-4-(2-methoxyethyl)-2,2,6,6-tetramethylheptane
CID 87217040
1-methoxy-3,3,4,5-tetramethylhexane
CID 123458984
1,5-dimethoxy-3-[[4-methoxy-2,2-bis(2-methoxyethyl)butoxy]methyl]-3-(2-methoxyethyl)pentane
CID 58757996

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[(4-methoxy-2-methylbutan-2-yl)trisulfanyl]-3-methylbutane?
The IUPAC name of 1-methoxy-3-[(4-methoxy-2-methylbutan-2-yl)trisulfanyl]-3-methylbutane (CID 175881291) is 1-methoxy-3-[(4-methoxy-2-methylbutan-2-yl)trisulfanyl]-3-methylbutane.
What is the SMILES notation for 1-methoxy-3-[(4-methoxy-2-methylbutan-2-yl)trisulfanyl]-3-methylbutane?
The canonical SMILES for 1-methoxy-3-[(4-methoxy-2-methylbutan-2-yl)trisulfanyl]-3-methylbutane is COCCC(C)(C)SSSC(C)(C)CCOC.
What is the InChIKey of 1-methoxy-3-[(4-methoxy-2-methylbutan-2-yl)trisulfanyl]-3-methylbutane?
The InChIKey is HSBJXVSVFIECTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2S3/c1-11(2,7-9-13-5)15-17-16-12(3,4)8-10-14-6/h7-10H2,1-6H3.
What are the key properties of 1-methoxy-3-[(4-methoxy-2-methylbutan-2-yl)trisulfanyl]-3-methylbutane?
1-methoxy-3-[(4-methoxy-2-methylbutan-2-yl)trisulfanyl]-3-methylbutane has a molecular weight of 298.54 g/mol, XLogP of 4.65, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[(4-methoxy-2-methylbutan-2-yl)trisulfanyl]-3-methylbutane is sourced from PubChem (CID 175881291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).