ethane;6-methyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-thiopyran-3-ol

C11H20OS — CID 156881993

IUPACethane;6-methyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-thiopyran-3-ol
SMILESC/C=C\C1=C(C)SCC(O)C1.CC
InChIInChI=1S/C9H14OS.C2H6/c1-3-4-8-5-9(10)6-11-7(8)2;1-2/h3-4,9-10H,5-6H2,1-2H3;1-2H3/b4-3-;
InChIKeyGIRSRNHOTRPAFE-LNKPDPKZSA-N
MW200.35 g/mol
LogP3.36
Rot. Bonds1

About ethane;6-methyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-thiopyran-3-ol

ethane;6-methyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-thiopyran-3-ol (PubChem CID 156881993) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is ethane;6-methyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-thiopyran-3-ol.

Molecular Properties

Compound Nameethane;6-methyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-thiopyran-3-ol
PubChem CID156881993
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Nameethane;6-methyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-thiopyran-3-ol
SMILESC/C=C\C1=C(C)SCC(O)C1.CC
InChIInChI=1S/C9H14OS.C2H6/c1-3-4-8-5-9(10)6-11-7(8)2;1-2/h3-4,9-10H,5-6H2,1-2H3;1-2H3/b4-3-;
InChIKeyGIRSRNHOTRPAFE-LNKPDPKZSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[(3Z,5E)-5-(3-methoxypropyl)octa-3,5,7-trien-4-yl]sulfanylethanol
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CID 88978938
(4E)-2-butylsulfanyl-4-ethenyl-2-methylhepta-4,6-dien-3-ol
CID 118052443
3,4-Dimethylidene-7-methylsulfanylnona-5,7-dien-1-ol
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CID 123682573
3-(3-Ethenylsulfanylbut-3-en-2-ylidene)-2-ethylidenecyclopentan-1-ol
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CID 138723781

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-thiopyran-3-ol?
The IUPAC name of ethane;6-methyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-thiopyran-3-ol (CID 156881993) is ethane;6-methyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-thiopyran-3-ol.
What is the SMILES notation for ethane;6-methyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-thiopyran-3-ol?
The canonical SMILES for ethane;6-methyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-thiopyran-3-ol is C/C=C\C1=C(C)SCC(O)C1.CC.
What is the InChIKey of ethane;6-methyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-thiopyran-3-ol?
The InChIKey is GIRSRNHOTRPAFE-LNKPDPKZSA-N. The full InChI is InChI=1S/C9H14OS.C2H6/c1-3-4-8-5-9(10)6-11-7(8)2;1-2/h3-4,9-10H,5-6H2,1-2H3;1-2H3/b4-3-;.
What are the key properties of ethane;6-methyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-thiopyran-3-ol?
ethane;6-methyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-thiopyran-3-ol has a molecular weight of 200.35 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-thiopyran-3-ol is sourced from PubChem (CID 156881993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).