(6E,7E)-7-ethylidene-6-prop-2-enylidene-1,4-oxathiepane 4-oxide

C10H14O2S — CID 166735234

IUPAC(6E,7E)-7-ethylidene-6-prop-2-enylidene-1,4-oxathiepane 4-oxide
SMILESC=C/C=C1/CS(=O)CCO/C1=C/C
InChIInChI=1S/C10H14O2S/c1-3-5-9-8-13(11)7-6-12-10(9)4-2/h3-5H,1,6-8H2,2H3/b9-5-,10-4+
InChIKeyYJGFHHANRRRJGF-LPTSPAKCSA-N
MW198.29 g/mol
LogP1.78
Rot. Bonds1

About (6E,7E)-7-ethylidene-6-prop-2-enylidene-1,4-oxathiepane 4-oxide

(6E,7E)-7-ethylidene-6-prop-2-enylidene-1,4-oxathiepane 4-oxide (PubChem CID 166735234) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is (6E,7E)-7-ethylidene-6-prop-2-enylidene-1,4-oxathiepane 4-oxide.

Molecular Properties

Compound Name(6E,7E)-7-ethylidene-6-prop-2-enylidene-1,4-oxathiepane 4-oxide
PubChem CID166735234
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name(6E,7E)-7-ethylidene-6-prop-2-enylidene-1,4-oxathiepane 4-oxide
SMILESC=C/C=C1/CS(=O)CCO/C1=C/C
InChIInChI=1S/C10H14O2S/c1-3-5-9-8-13(11)7-6-12-10(9)4-2/h3-5H,1,6-8H2,2H3/b9-5-,10-4+
InChIKeyYJGFHHANRRRJGF-LPTSPAKCSA-N
XLogP1.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6E,7E)-7-ethylidene-6-prop-2-enylidene-1,4-oxathiepane 4-oxide?
The IUPAC name of (6E,7E)-7-ethylidene-6-prop-2-enylidene-1,4-oxathiepane 4-oxide (CID 166735234) is (6E,7E)-7-ethylidene-6-prop-2-enylidene-1,4-oxathiepane 4-oxide.
What is the SMILES notation for (6E,7E)-7-ethylidene-6-prop-2-enylidene-1,4-oxathiepane 4-oxide?
The canonical SMILES for (6E,7E)-7-ethylidene-6-prop-2-enylidene-1,4-oxathiepane 4-oxide is C=C/C=C1/CS(=O)CCO/C1=C/C.
What is the InChIKey of (6E,7E)-7-ethylidene-6-prop-2-enylidene-1,4-oxathiepane 4-oxide?
The InChIKey is YJGFHHANRRRJGF-LPTSPAKCSA-N. The full InChI is InChI=1S/C10H14O2S/c1-3-5-9-8-13(11)7-6-12-10(9)4-2/h3-5H,1,6-8H2,2H3/b9-5-,10-4+.
What are the key properties of (6E,7E)-7-ethylidene-6-prop-2-enylidene-1,4-oxathiepane 4-oxide?
(6E,7E)-7-ethylidene-6-prop-2-enylidene-1,4-oxathiepane 4-oxide has a molecular weight of 198.29 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,7E)-7-ethylidene-6-prop-2-enylidene-1,4-oxathiepane 4-oxide is sourced from PubChem (CID 166735234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).