6-methyl-3,4-dihydro-2H-pyran;6-methyl-3,4-dihydro-2H-thiopyran

C12H20OS — CID 142051048

IUPAC6-methyl-3,4-dihydro-2H-pyran;6-methyl-3,4-dihydro-2H-thiopyran
SMILESCC1=CCCCO1.CC1=CCCCS1
InChIInChI=1S/C6H10O.C6H10S/c2*1-6-4-2-3-5-7-6/h2*4H,2-3,5H2,1H3
InChIKeyHAXGDRFCBNEREB-UHFFFAOYSA-N
MW212.36 g/mol
LogP4.12
Rot. Bonds

About 6-methyl-3,4-dihydro-2H-pyran;6-methyl-3,4-dihydro-2H-thiopyran

6-methyl-3,4-dihydro-2H-pyran;6-methyl-3,4-dihydro-2H-thiopyran (PubChem CID 142051048) has the molecular formula C12H20OS and a molecular weight of 212.36 g/mol. Its IUPAC name is 6-methyl-3,4-dihydro-2H-pyran;6-methyl-3,4-dihydro-2H-thiopyran.

Molecular Properties

Compound Name6-methyl-3,4-dihydro-2H-pyran;6-methyl-3,4-dihydro-2H-thiopyran
PubChem CID142051048
Molecular FormulaC12H20OS
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name6-methyl-3,4-dihydro-2H-pyran;6-methyl-3,4-dihydro-2H-thiopyran
SMILESCC1=CCCCO1.CC1=CCCCS1
InChIInChI=1S/C6H10O.C6H10S/c2*1-6-4-2-3-5-7-6/h2*4H,2-3,5H2,1H3
InChIKeyHAXGDRFCBNEREB-UHFFFAOYSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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6-methyl-3,4-dihydro-2H-pyran;7-methyl-2,3,4,5-tetrahydrothiepine
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(2E)-2-butylidene-5-methylidene-1,4-oxathiepane
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(2Z)-3-ethyl-3-methyl-2-propylidene-1,4-oxathiane
CID 10631428
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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,4-dihydro-2H-pyran;6-methyl-3,4-dihydro-2H-thiopyran?
The IUPAC name of 6-methyl-3,4-dihydro-2H-pyran;6-methyl-3,4-dihydro-2H-thiopyran (CID 142051048) is 6-methyl-3,4-dihydro-2H-pyran;6-methyl-3,4-dihydro-2H-thiopyran.
What is the SMILES notation for 6-methyl-3,4-dihydro-2H-pyran;6-methyl-3,4-dihydro-2H-thiopyran?
The canonical SMILES for 6-methyl-3,4-dihydro-2H-pyran;6-methyl-3,4-dihydro-2H-thiopyran is CC1=CCCCO1.CC1=CCCCS1.
What is the InChIKey of 6-methyl-3,4-dihydro-2H-pyran;6-methyl-3,4-dihydro-2H-thiopyran?
The InChIKey is HAXGDRFCBNEREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C6H10S/c2*1-6-4-2-3-5-7-6/h2*4H,2-3,5H2,1H3.
What are the key properties of 6-methyl-3,4-dihydro-2H-pyran;6-methyl-3,4-dihydro-2H-thiopyran?
6-methyl-3,4-dihydro-2H-pyran;6-methyl-3,4-dihydro-2H-thiopyran has a molecular weight of 212.36 g/mol, XLogP of 4.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3,4-dihydro-2H-pyran;6-methyl-3,4-dihydro-2H-thiopyran is sourced from PubChem (CID 142051048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).