2-(3,4-dihydro-2H-pyran-6-yl)-3-methylpentan-2-ol

C11H20O2 — CID 102646419

IUPAC2-(3,4-dihydro-2H-pyran-6-yl)-3-methylpentan-2-ol
SMILESCCC(C)C(C)(O)C1=CCCCO1
InChIInChI=1S/C11H20O2/c1-4-9(2)11(3,12)10-7-5-6-8-13-10/h7,9,12H,4-6,8H2,1-3H3
InChIKeyHHHPUMQIRWNPAH-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.48
Rot. Bonds3

About 2-(3,4-dihydro-2H-pyran-6-yl)-3-methylpentan-2-ol

2-(3,4-dihydro-2H-pyran-6-yl)-3-methylpentan-2-ol (PubChem CID 102646419) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyran-6-yl)-3-methylpentan-2-ol.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyran-6-yl)-3-methylpentan-2-ol
PubChem CID102646419
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-(3,4-dihydro-2H-pyran-6-yl)-3-methylpentan-2-ol
SMILESCCC(C)C(C)(O)C1=CCCCO1
InChIInChI=1S/C11H20O2/c1-4-9(2)11(3,12)10-7-5-6-8-13-10/h7,9,12H,4-6,8H2,1-3H3
InChIKeyHHHPUMQIRWNPAH-UHFFFAOYSA-N
XLogP2.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyran-6-yl)-3-methylpentan-2-ol?
The IUPAC name of 2-(3,4-dihydro-2H-pyran-6-yl)-3-methylpentan-2-ol (CID 102646419) is 2-(3,4-dihydro-2H-pyran-6-yl)-3-methylpentan-2-ol.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyran-6-yl)-3-methylpentan-2-ol?
The canonical SMILES for 2-(3,4-dihydro-2H-pyran-6-yl)-3-methylpentan-2-ol is CCC(C)C(C)(O)C1=CCCCO1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyran-6-yl)-3-methylpentan-2-ol?
The InChIKey is HHHPUMQIRWNPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-9(2)11(3,12)10-7-5-6-8-13-10/h7,9,12H,4-6,8H2,1-3H3.
What are the key properties of 2-(3,4-dihydro-2H-pyran-6-yl)-3-methylpentan-2-ol?
2-(3,4-dihydro-2H-pyran-6-yl)-3-methylpentan-2-ol has a molecular weight of 184.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyran-6-yl)-3-methylpentan-2-ol is sourced from PubChem (CID 102646419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).