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

C7H12O2 — CID 18783501

IUPAC3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol
SMILESCC1=CC(C)COC1O
InChIInChI=1S/C7H12O2/c1-5-3-6(2)7(8)9-4-5/h3,5,7-8H,4H2,1-2H3
InChIKeyAMPVUHHGZUKBHA-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.92
Rot. Bonds

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

3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol (PubChem CID 18783501) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol.

Molecular Properties

Compound Name3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol
PubChem CID18783501
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol
SMILESCC1=CC(C)COC1O
InChIInChI=1S/C7H12O2/c1-5-3-6(2)7(8)9-4-5/h3,5,7-8H,4H2,1-2H3
InChIKeyAMPVUHHGZUKBHA-UHFFFAOYSA-N
XLogP0.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.92
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

(E)-1-methoxy-4-methylpent-2-en-1-ol
CID 140638771
4,6,6-Trimethyl-2,3-dihydropyran-2-ol
CID 10558722
(2S)-4-methyl-3,6-dihydro-2H-pyran-2-ol
CID 5324862
4-methyl-3,6-dihydro-2H-pyran-2-ol
CID 10725318
3,5-diethyl-5,6-dihydro-2H-2-pyranol
CID 11217378
6-methoxy-3,5-dimethyl-3,6-dihydro-2H-pyran
CID 14394613
5,6-Dihydro-2H-pyran-2-ol
CID 15153563
(E)-5,5-diethoxy-2-methylpent-2-en-1-ol
CID 15374333
2,4-dimethyl-3,6-dihydro-2H-pyran-6-ol
CID 15658995
5-methyl-3,6-dihydro-2H-pyran-6-ol
CID 18783499
5-propyl-3,6-dihydro-2H-pyran-6-ol
CID 18783500
3-ethyl-5-propan-2-yl-3,6-dihydro-2H-pyran-6-ol
CID 18783502

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol?
The IUPAC name of 3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol (CID 18783501) is 3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol.
What is the SMILES notation for 3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol?
The canonical SMILES for 3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol is CC1=CC(C)COC1O.
What is the InChIKey of 3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol?
The InChIKey is AMPVUHHGZUKBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-5-3-6(2)7(8)9-4-5/h3,5,7-8H,4H2,1-2H3.
What are the key properties of 3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol?
3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol has a molecular weight of 128.17 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol is sourced from PubChem (CID 18783501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).