4-[(E)-3-[tert-butyl(dimethyl)-λ4-sulfanyl]prop-2-enoxy]-4-ethyl-1,3-dioxolan-2-one

C14H26O4S — CID 154962596

IUPAC4-[(E)-3-[tert-butyl(dimethyl)-λ4-sulfanyl]prop-2-enoxy]-4-ethyl-1,3-dioxolan-2-one
SMILESCCC1(OC/C=C/S(C)(C)C(C)(C)C)COC(=O)O1
InChIInChI=1S/C14H26O4S/c1-7-14(11-16-12(15)18-14)17-9-8-10-19(5,6)13(2,3)4/h8,10H,7,9,11H2,1-6H3/b10-8+
InChIKeyUDYHXFJGOCSRBU-CSKARUKUSA-N
MW290.43 g/mol
LogP3.65
Rot. Bonds5

About 4-[(E)-3-[tert-butyl(dimethyl)-λ4-sulfanyl]prop-2-enoxy]-4-ethyl-1,3-dioxolan-2-one

4-[(E)-3-[tert-butyl(dimethyl)-λ4-sulfanyl]prop-2-enoxy]-4-ethyl-1,3-dioxolan-2-one (PubChem CID 154962596) has the molecular formula C14H26O4S and a molecular weight of 290.43 g/mol. Its IUPAC name is 4-[(E)-3-[tert-butyl(dimethyl)-λ4-sulfanyl]prop-2-enoxy]-4-ethyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[(E)-3-[tert-butyl(dimethyl)-λ4-sulfanyl]prop-2-enoxy]-4-ethyl-1,3-dioxolan-2-one
PubChem CID154962596
Molecular FormulaC14H26O4S
Molecular Weight290.43 g/mol
Exact Mass290.16
IUPAC Name4-[(E)-3-[tert-butyl(dimethyl)-λ4-sulfanyl]prop-2-enoxy]-4-ethyl-1,3-dioxolan-2-one
SMILESCCC1(OC/C=C/S(C)(C)C(C)(C)C)COC(=O)O1
InChIInChI=1S/C14H26O4S/c1-7-14(11-16-12(15)18-14)17-9-8-10-19(5,6)13(2,3)4/h8,10H,7,9,11H2,1-6H3/b10-8+
InChIKeyUDYHXFJGOCSRBU-CSKARUKUSA-N
XLogP3.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-[tert-butyl(dimethyl)-λ4-sulfanyl]prop-2-enoxy]-4-ethyl-1,3-dioxolan-2-one?
The IUPAC name of 4-[(E)-3-[tert-butyl(dimethyl)-λ4-sulfanyl]prop-2-enoxy]-4-ethyl-1,3-dioxolan-2-one (CID 154962596) is 4-[(E)-3-[tert-butyl(dimethyl)-λ4-sulfanyl]prop-2-enoxy]-4-ethyl-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[(E)-3-[tert-butyl(dimethyl)-λ4-sulfanyl]prop-2-enoxy]-4-ethyl-1,3-dioxolan-2-one?
The canonical SMILES for 4-[(E)-3-[tert-butyl(dimethyl)-λ4-sulfanyl]prop-2-enoxy]-4-ethyl-1,3-dioxolan-2-one is CCC1(OC/C=C/S(C)(C)C(C)(C)C)COC(=O)O1.
What is the InChIKey of 4-[(E)-3-[tert-butyl(dimethyl)-λ4-sulfanyl]prop-2-enoxy]-4-ethyl-1,3-dioxolan-2-one?
The InChIKey is UDYHXFJGOCSRBU-CSKARUKUSA-N. The full InChI is InChI=1S/C14H26O4S/c1-7-14(11-16-12(15)18-14)17-9-8-10-19(5,6)13(2,3)4/h8,10H,7,9,11H2,1-6H3/b10-8+.
What are the key properties of 4-[(E)-3-[tert-butyl(dimethyl)-λ4-sulfanyl]prop-2-enoxy]-4-ethyl-1,3-dioxolan-2-one?
4-[(E)-3-[tert-butyl(dimethyl)-λ4-sulfanyl]prop-2-enoxy]-4-ethyl-1,3-dioxolan-2-one has a molecular weight of 290.43 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-[tert-butyl(dimethyl)-λ4-sulfanyl]prop-2-enoxy]-4-ethyl-1,3-dioxolan-2-one is sourced from PubChem (CID 154962596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).