1-(ethylsulfanylmethoxy)-2,2-dimethylpropane

C8H18OS — CID 118027022

IUPAC1-(ethylsulfanylmethoxy)-2,2-dimethylpropane
SMILESCCSCOCC(C)(C)C
InChIInChI=1S/C8H18OS/c1-5-10-7-9-6-8(2,3)4/h5-7H2,1-4H3
InChIKeyVDSRTOCALHNOOC-UHFFFAOYSA-N
MW162.30 g/mol
LogP2.76
Rot. Bonds4

About 1-(ethylsulfanylmethoxy)-2,2-dimethylpropane

1-(ethylsulfanylmethoxy)-2,2-dimethylpropane (PubChem CID 118027022) has the molecular formula C8H18OS and a molecular weight of 162.30 g/mol. Its IUPAC name is 1-(ethylsulfanylmethoxy)-2,2-dimethylpropane.

Molecular Properties

Compound Name1-(ethylsulfanylmethoxy)-2,2-dimethylpropane
PubChem CID118027022
Molecular FormulaC8H18OS
Molecular Weight162.30 g/mol
Exact Mass162.11
IUPAC Name1-(ethylsulfanylmethoxy)-2,2-dimethylpropane
SMILESCCSCOCC(C)(C)C
InChIInChI=1S/C8H18OS/c1-5-10-7-9-6-8(2,3)4/h5-7H2,1-4H3
InChIKeyVDSRTOCALHNOOC-UHFFFAOYSA-N
XLogP2.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(ethylsulfanylmethoxy)-2,2-dimethylpropane?
The IUPAC name of 1-(ethylsulfanylmethoxy)-2,2-dimethylpropane (CID 118027022) is 1-(ethylsulfanylmethoxy)-2,2-dimethylpropane.
What is the SMILES notation for 1-(ethylsulfanylmethoxy)-2,2-dimethylpropane?
The canonical SMILES for 1-(ethylsulfanylmethoxy)-2,2-dimethylpropane is CCSCOCC(C)(C)C.
What is the InChIKey of 1-(ethylsulfanylmethoxy)-2,2-dimethylpropane?
The InChIKey is VDSRTOCALHNOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OS/c1-5-10-7-9-6-8(2,3)4/h5-7H2,1-4H3.
What are the key properties of 1-(ethylsulfanylmethoxy)-2,2-dimethylpropane?
1-(ethylsulfanylmethoxy)-2,2-dimethylpropane has a molecular weight of 162.30 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylsulfanylmethoxy)-2,2-dimethylpropane is sourced from PubChem (CID 118027022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).