4-methyl-2,3-dihydropyran-4-ol

C6H10O2 — CID 14756732

IUPAC4-methyl-2,3-dihydropyran-4-ol
SMILESCC1(O)C=COCC1
InChIInChI=1S/C6H10O2/c1-6(7)2-4-8-5-3-6/h2,4,7H,3,5H2,1H3
InChIKeyNDAKYAACDBQXQO-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.67
Rot. Bonds

About 4-methyl-2,3-dihydropyran-4-ol

4-methyl-2,3-dihydropyran-4-ol (PubChem CID 14756732) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 4-methyl-2,3-dihydropyran-4-ol.

Molecular Properties

Compound Name4-methyl-2,3-dihydropyran-4-ol
PubChem CID14756732
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name4-methyl-2,3-dihydropyran-4-ol
SMILESCC1(O)C=COCC1
InChIInChI=1S/C6H10O2/c1-6(7)2-4-8-5-3-6/h2,4,7H,3,5H2,1H3
InChIKeyNDAKYAACDBQXQO-UHFFFAOYSA-N
XLogP0.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-Fluoroethyl)pyran-4-ol
CID 56980362
3-Methylpent-4-ene-1,3-diol
CID 13868621
4-Ethylpyran-3,4-diol
CID 19610828
4-Ethylpyran-4-ol
CID 57316018
(3S)-3-methyl-3,4-dihydro-2H-pyran-4-ol
CID 68011516
4-Methylpyran-4-ol
CID 121334169
(E)-1-[(E)-3-hydroxy-3-methylpent-1-enoxy]-3-methylpent-1-en-3-ol
CID 140004228
4-Ethynyl-2,3-dihydropyran-4-ol
CID 141758917
(3R,4S)-3-methyl-3,4-dihydro-2H-pyran-4-ol
CID 142846477
5-Ethoxy-3-methylpent-1-en-3-ol
CID 149159703
(4R)-4-ethyl-2,3-dihydropyran-4-ol
CID 174586588
(2S,4R)-2,4-dimethyl-2,3-dihydropyran-4-ol
CID 21578005

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3-dihydropyran-4-ol?
The IUPAC name of 4-methyl-2,3-dihydropyran-4-ol (CID 14756732) is 4-methyl-2,3-dihydropyran-4-ol.
What is the SMILES notation for 4-methyl-2,3-dihydropyran-4-ol?
The canonical SMILES for 4-methyl-2,3-dihydropyran-4-ol is CC1(O)C=COCC1.
What is the InChIKey of 4-methyl-2,3-dihydropyran-4-ol?
The InChIKey is NDAKYAACDBQXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-6(7)2-4-8-5-3-6/h2,4,7H,3,5H2,1H3.
What are the key properties of 4-methyl-2,3-dihydropyran-4-ol?
4-methyl-2,3-dihydropyran-4-ol has a molecular weight of 114.14 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3-dihydropyran-4-ol is sourced from PubChem (CID 14756732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).