5-methyl-3,6-dihydro-2H-pyran-3-ol

C6H10O2 — CID 143495144

IUPAC5-methyl-3,6-dihydro-2H-pyran-3-ol
SMILESCC1=CC(O)COC1
InChIInChI=1S/C6H10O2/c1-5-2-6(7)4-8-3-5/h2,6-7H,3-4H2,1H3
InChIKeyGVFFBLLFSQIMTP-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.32
Rot. Bonds

About 5-methyl-3,6-dihydro-2H-pyran-3-ol

5-methyl-3,6-dihydro-2H-pyran-3-ol (PubChem CID 143495144) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 5-methyl-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name5-methyl-3,6-dihydro-2H-pyran-3-ol
PubChem CID143495144
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name5-methyl-3,6-dihydro-2H-pyran-3-ol
SMILESCC1=CC(O)COC1
InChIInChI=1S/C6H10O2/c1-5-2-6(7)4-8-3-5/h2,6-7H,3-4H2,1H3
InChIKeyGVFFBLLFSQIMTP-UHFFFAOYSA-N
XLogP0.32
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 ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 129404741
3-methyl-5-methylidenecyclohex-2-en-1-ol
CID 89206021
3-methylcyclohex-2-en-1-ol;propane
CID 142858327
(5R,6S,7S)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8,12-trien-6-ol
CID 90873235
4-(4-methyl-2,5-dihydrofuran-2-yl)phenol
CID 12508731
(5R,6S,7S)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-ol
CID 90960920
2,4-dimethyl-3,6-dihydro-2H-pyran-6-ol
CID 15658995
(3R,5S)-4-methyloxane-3,5-diol
CID 129236591
(4S)-4,6-dimethyl-3,4-dihydro-1H-isochromene
CID 134221484
(3aR,6E,8S,10E)-8-hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
CID 118701730
3-methyl-5-methylidene-2H-pyran
CID 23558492
4,5-dimethyl-2H-pyran-2-ol
CID 173017385

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of 5-methyl-3,6-dihydro-2H-pyran-3-ol (CID 143495144) is 5-methyl-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for 5-methyl-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for 5-methyl-3,6-dihydro-2H-pyran-3-ol is CC1=CC(O)COC1.
What is the InChIKey of 5-methyl-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is GVFFBLLFSQIMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-5-2-6(7)4-8-3-5/h2,6-7H,3-4H2,1H3.
What are the key properties of 5-methyl-3,6-dihydro-2H-pyran-3-ol?
5-methyl-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 114.14 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 143495144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).