1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-3-methylbutan-1-ol

C11H20O3 — CID 103027681

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-3-methylbutan-1-ol
SMILESCOC(C)(C)CC(O)C1=COCCC1
InChIInChI=1S/C11H20O3/c1-11(2,13-3)7-10(12)9-5-4-6-14-8-9/h8,10,12H,4-7H2,1-3H3
InChIKeyRZJHHRPCILQCPI-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.86
Rot. Bonds4

About 1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-3-methylbutan-1-ol

1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-3-methylbutan-1-ol (PubChem CID 103027681) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-3-methylbutan-1-ol
PubChem CID103027681
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-3-methylbutan-1-ol
SMILESCOC(C)(C)CC(O)C1=COCCC1
InChIInChI=1S/C11H20O3/c1-11(2,13-3)7-10(12)9-5-4-6-14-8-9/h8,10,12H,4-7H2,1-3H3
InChIKeyRZJHHRPCILQCPI-UHFFFAOYSA-N
XLogP1.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-3-methylbutan-1-ol?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-3-methylbutan-1-ol (CID 103027681) is 1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-3-methylbutan-1-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-3-methylbutan-1-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-3-methylbutan-1-ol is COC(C)(C)CC(O)C1=COCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-3-methylbutan-1-ol?
The InChIKey is RZJHHRPCILQCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-11(2,13-3)7-10(12)9-5-4-6-14-8-9/h8,10,12H,4-7H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-3-methylbutan-1-ol?
1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-3-methylbutan-1-ol has a molecular weight of 200.28 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-3-methylbutan-1-ol is sourced from PubChem (CID 103027681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).