[(6E)-2,4-dimethoxy-6-[(Z)-pent-2-enylidene]cyclohexa-1,3-dien-1-yl]-trimethyl-λ4-sulfane

C16H26O2S — CID 126692513

IUPAC[(6E)-2,4-dimethoxy-6-[(Z)-pent-2-enylidene]cyclohexa-1,3-dien-1-yl]-trimethyl-λ4-sulfane
SMILESCC/C=C\C=C1/CC(OC)=CC(OC)=C1S(C)(C)C
InChIInChI=1S/C16H26O2S/c1-7-8-9-10-13-11-14(17-2)12-15(18-3)16(13)19(4,5)6/h8-10,12H,7,11H2,1-6H3/b9-8-,13-10+
InChIKeyJKKKDNYUARVYDG-JQHRQWORSA-N
MW282.45 g/mol
LogP4.36
Rot. Bonds5

About [(6E)-2,4-dimethoxy-6-[(Z)-pent-2-enylidene]cyclohexa-1,3-dien-1-yl]-trimethyl-λ4-sulfane

[(6E)-2,4-dimethoxy-6-[(Z)-pent-2-enylidene]cyclohexa-1,3-dien-1-yl]-trimethyl-λ4-sulfane (PubChem CID 126692513) has the molecular formula C16H26O2S and a molecular weight of 282.45 g/mol. Its IUPAC name is [(6E)-2,4-dimethoxy-6-[(Z)-pent-2-enylidene]cyclohexa-1,3-dien-1-yl]-trimethyl-λ4-sulfane.

Molecular Properties

Compound Name[(6E)-2,4-dimethoxy-6-[(Z)-pent-2-enylidene]cyclohexa-1,3-dien-1-yl]-trimethyl-λ4-sulfane
PubChem CID126692513
Molecular FormulaC16H26O2S
Molecular Weight282.45 g/mol
Exact Mass282.17
IUPAC Name[(6E)-2,4-dimethoxy-6-[(Z)-pent-2-enylidene]cyclohexa-1,3-dien-1-yl]-trimethyl-λ4-sulfane
SMILESCC/C=C\C=C1/CC(OC)=CC(OC)=C1S(C)(C)C
InChIInChI=1S/C16H26O2S/c1-7-8-9-10-13-11-14(17-2)12-15(18-3)16(13)19(4,5)6/h8-10,12H,7,11H2,1-6H3/b9-8-,13-10+
InChIKeyJKKKDNYUARVYDG-JQHRQWORSA-N
XLogP4.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(6E)-2,4-dimethoxy-6-[(Z)-pent-2-enylidene]cyclohexa-1,3-dien-1-yl]-trimethyl-λ4-sulfane?
The IUPAC name of [(6E)-2,4-dimethoxy-6-[(Z)-pent-2-enylidene]cyclohexa-1,3-dien-1-yl]-trimethyl-λ4-sulfane (CID 126692513) is [(6E)-2,4-dimethoxy-6-[(Z)-pent-2-enylidene]cyclohexa-1,3-dien-1-yl]-trimethyl-λ4-sulfane.
What is the SMILES notation for [(6E)-2,4-dimethoxy-6-[(Z)-pent-2-enylidene]cyclohexa-1,3-dien-1-yl]-trimethyl-λ4-sulfane?
The canonical SMILES for [(6E)-2,4-dimethoxy-6-[(Z)-pent-2-enylidene]cyclohexa-1,3-dien-1-yl]-trimethyl-λ4-sulfane is CC/C=C\C=C1/CC(OC)=CC(OC)=C1S(C)(C)C.
What is the InChIKey of [(6E)-2,4-dimethoxy-6-[(Z)-pent-2-enylidene]cyclohexa-1,3-dien-1-yl]-trimethyl-λ4-sulfane?
The InChIKey is JKKKDNYUARVYDG-JQHRQWORSA-N. The full InChI is InChI=1S/C16H26O2S/c1-7-8-9-10-13-11-14(17-2)12-15(18-3)16(13)19(4,5)6/h8-10,12H,7,11H2,1-6H3/b9-8-,13-10+.
What are the key properties of [(6E)-2,4-dimethoxy-6-[(Z)-pent-2-enylidene]cyclohexa-1,3-dien-1-yl]-trimethyl-λ4-sulfane?
[(6E)-2,4-dimethoxy-6-[(Z)-pent-2-enylidene]cyclohexa-1,3-dien-1-yl]-trimethyl-λ4-sulfane has a molecular weight of 282.45 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6E)-2,4-dimethoxy-6-[(Z)-pent-2-enylidene]cyclohexa-1,3-dien-1-yl]-trimethyl-λ4-sulfane is sourced from PubChem (CID 126692513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).