[(4Z,6Z,9Z)-2-methyl-8-methylidene-2,3-dihydrothiecin-10-yl]methanol

C12H16OS — CID 144677055

IUPAC[(4Z,6Z,9Z)-2-methyl-8-methylidene-2,3-dihydrothiecin-10-yl]methanol
SMILESC=C1/C=C\C=C/CC(C)S/C(CO)=C\1
InChIInChI=1S/C12H16OS/c1-10-6-4-3-5-7-11(2)14-12(8-10)9-13/h3-6,8,11,13H,1,7,9H2,2H3/b5-3-,6-4-,12-8-
InChIKeyYYCBCGUIZBGZFM-WKNGTWMZSA-N
MW208.33 g/mol
LogP3.06
Rot. Bonds1

About [(4Z,6Z,9Z)-2-methyl-8-methylidene-2,3-dihydrothiecin-10-yl]methanol

[(4Z,6Z,9Z)-2-methyl-8-methylidene-2,3-dihydrothiecin-10-yl]methanol (PubChem CID 144677055) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is [(4Z,6Z,9Z)-2-methyl-8-methylidene-2,3-dihydrothiecin-10-yl]methanol.

Molecular Properties

Compound Name[(4Z,6Z,9Z)-2-methyl-8-methylidene-2,3-dihydrothiecin-10-yl]methanol
PubChem CID144677055
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name[(4Z,6Z,9Z)-2-methyl-8-methylidene-2,3-dihydrothiecin-10-yl]methanol
SMILESC=C1/C=C\C=C/CC(C)S/C(CO)=C\1
InChIInChI=1S/C12H16OS/c1-10-6-4-3-5-7-11(2)14-12(8-10)9-13/h3-6,8,11,13H,1,7,9H2,2H3/b5-3-,6-4-,12-8-
InChIKeyYYCBCGUIZBGZFM-WKNGTWMZSA-N
XLogP3.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(4Z,6Z,9Z)-2-methyl-8-methylidene-2,3-dihydrothiecin-10-yl]methanol with MolForge

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Related Compounds

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(2E,6E)-3,7-dimethyl-8-propylsulfanylocta-2,6-dien-1-ol
CID 88547643
CID 88874029
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(2E)-2-[(E)-2-methylbut-1-enyl]sulfanylpenta-2,4-dien-1-ol
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[(2R)-2-[(1Z)-buta-1,3-dienyl]-3-methyl-2,3-dihydrothiophen-5-yl]methanol
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CID 89416532
2-[2-(2-Hydroxyethylidene)thiophen-3-ylidene]ethanol
CID 90687550
(4E)-2-butylsulfanyl-4-ethenyl-2-methylhepta-4,6-dien-3-ol
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4-Ethenyl-10-hepta-2,4-dien-4-ylsulfanyldodeca-2,6,8-trien-1-ol
CID 123333858
3,7-Dimethyl-8-propylsulfanylocta-2,6-dien-1-ol
CID 123680401
5,7-Dimethyl-2-methylsulfanyl-4-prop-1-en-2-ylocta-2,4,6-trien-1-ol
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Frequently Asked Questions

What is the IUPAC name of [(4Z,6Z,9Z)-2-methyl-8-methylidene-2,3-dihydrothiecin-10-yl]methanol?
The IUPAC name of [(4Z,6Z,9Z)-2-methyl-8-methylidene-2,3-dihydrothiecin-10-yl]methanol (CID 144677055) is [(4Z,6Z,9Z)-2-methyl-8-methylidene-2,3-dihydrothiecin-10-yl]methanol.
What is the SMILES notation for [(4Z,6Z,9Z)-2-methyl-8-methylidene-2,3-dihydrothiecin-10-yl]methanol?
The canonical SMILES for [(4Z,6Z,9Z)-2-methyl-8-methylidene-2,3-dihydrothiecin-10-yl]methanol is C=C1/C=C\C=C/CC(C)S/C(CO)=C\1.
What is the InChIKey of [(4Z,6Z,9Z)-2-methyl-8-methylidene-2,3-dihydrothiecin-10-yl]methanol?
The InChIKey is YYCBCGUIZBGZFM-WKNGTWMZSA-N. The full InChI is InChI=1S/C12H16OS/c1-10-6-4-3-5-7-11(2)14-12(8-10)9-13/h3-6,8,11,13H,1,7,9H2,2H3/b5-3-,6-4-,12-8-.
What are the key properties of [(4Z,6Z,9Z)-2-methyl-8-methylidene-2,3-dihydrothiecin-10-yl]methanol?
[(4Z,6Z,9Z)-2-methyl-8-methylidene-2,3-dihydrothiecin-10-yl]methanol has a molecular weight of 208.33 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z,6Z,9Z)-2-methyl-8-methylidene-2,3-dihydrothiecin-10-yl]methanol is sourced from PubChem (CID 144677055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).