4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-ol

C10H16O2 — CID 11062800

IUPAC4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-ol
SMILESCC(C)=CC1CC(C)=CC(O)O1
InChIInChI=1S/C10H16O2/c1-7(2)4-9-5-8(3)6-10(11)12-9/h4,6,9-11H,5H2,1-3H3
InChIKeyBNVWQUDULKCZTH-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.01
Rot. Bonds1

About 4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-ol

4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-ol (PubChem CID 11062800) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-ol.

Molecular Properties

Compound Name4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-ol
PubChem CID11062800
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-ol
SMILESCC(C)=CC1CC(C)=CC(O)O1
InChIInChI=1S/C10H16O2/c1-7(2)4-9-5-8(3)6-10(11)12-9/h4,6,9-11H,5H2,1-3H3
InChIKeyBNVWQUDULKCZTH-UHFFFAOYSA-N
XLogP2.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-ol?
The IUPAC name of 4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-ol (CID 11062800) is 4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-ol.
What is the SMILES notation for 4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-ol?
The canonical SMILES for 4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-ol is CC(C)=CC1CC(C)=CC(O)O1.
What is the InChIKey of 4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-ol?
The InChIKey is BNVWQUDULKCZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7(2)4-9-5-8(3)6-10(11)12-9/h4,6,9-11H,5H2,1-3H3.
What are the key properties of 4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-ol?
4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-ol has a molecular weight of 168.24 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-ol is sourced from PubChem (CID 11062800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).