1-(3-ethenoxypropylsulfanyl)-2,2-dimethylpropane

C10H20OS — CID 18539658

IUPAC1-(3-ethenoxypropylsulfanyl)-2,2-dimethylpropane
SMILESC=COCCCSCC(C)(C)C
InChIInChI=1S/C10H20OS/c1-5-11-7-6-8-12-9-10(2,3)4/h5H,1,6-9H2,2-4H3
InChIKeyRAGXWJJMFGGDKJ-UHFFFAOYSA-N
MW188.34 g/mol
LogP3.32
Rot. Bonds6

About 1-(3-ethenoxypropylsulfanyl)-2,2-dimethylpropane

1-(3-ethenoxypropylsulfanyl)-2,2-dimethylpropane (PubChem CID 18539658) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is 1-(3-ethenoxypropylsulfanyl)-2,2-dimethylpropane.

Molecular Properties

Compound Name1-(3-ethenoxypropylsulfanyl)-2,2-dimethylpropane
PubChem CID18539658
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name1-(3-ethenoxypropylsulfanyl)-2,2-dimethylpropane
SMILESC=COCCCSCC(C)(C)C
InChIInChI=1S/C10H20OS/c1-5-11-7-6-8-12-9-10(2,3)4/h5H,1,6-9H2,2-4H3
InChIKeyRAGXWJJMFGGDKJ-UHFFFAOYSA-N
XLogP3.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethenoxypropylsulfanyl)-2,2-dimethylpropane?
The IUPAC name of 1-(3-ethenoxypropylsulfanyl)-2,2-dimethylpropane (CID 18539658) is 1-(3-ethenoxypropylsulfanyl)-2,2-dimethylpropane.
What is the SMILES notation for 1-(3-ethenoxypropylsulfanyl)-2,2-dimethylpropane?
The canonical SMILES for 1-(3-ethenoxypropylsulfanyl)-2,2-dimethylpropane is C=COCCCSCC(C)(C)C.
What is the InChIKey of 1-(3-ethenoxypropylsulfanyl)-2,2-dimethylpropane?
The InChIKey is RAGXWJJMFGGDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OS/c1-5-11-7-6-8-12-9-10(2,3)4/h5H,1,6-9H2,2-4H3.
What are the key properties of 1-(3-ethenoxypropylsulfanyl)-2,2-dimethylpropane?
1-(3-ethenoxypropylsulfanyl)-2,2-dimethylpropane has a molecular weight of 188.34 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethenoxypropylsulfanyl)-2,2-dimethylpropane is sourced from PubChem (CID 18539658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).