6-(hydroxymethyl)-2,2-dimethyl-3,4-dihydropyran-4-ol

C8H14O3 — CID 10558895

IUPAC6-(hydroxymethyl)-2,2-dimethyl-3,4-dihydropyran-4-ol
SMILESCC1(C)CC(O)C=C(CO)O1
InChIInChI=1S/C8H14O3/c1-8(2)4-6(10)3-7(5-9)11-8/h3,6,9-10H,4-5H2,1-2H3
InChIKeyKRINXDJHVHVDFQ-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.42
Rot. Bonds1

About 6-(hydroxymethyl)-2,2-dimethyl-3,4-dihydropyran-4-ol

6-(hydroxymethyl)-2,2-dimethyl-3,4-dihydropyran-4-ol (PubChem CID 10558895) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 6-(hydroxymethyl)-2,2-dimethyl-3,4-dihydropyran-4-ol.

Molecular Properties

Compound Name6-(hydroxymethyl)-2,2-dimethyl-3,4-dihydropyran-4-ol
PubChem CID10558895
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name6-(hydroxymethyl)-2,2-dimethyl-3,4-dihydropyran-4-ol
SMILESCC1(C)CC(O)C=C(CO)O1
InChIInChI=1S/C8H14O3/c1-8(2)4-6(10)3-7(5-9)11-8/h3,6,9-10H,4-5H2,1-2H3
InChIKeyKRINXDJHVHVDFQ-UHFFFAOYSA-N
XLogP0.42
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-2,2-dimethyl-3,4-dihydropyran-4-ol?
The IUPAC name of 6-(hydroxymethyl)-2,2-dimethyl-3,4-dihydropyran-4-ol (CID 10558895) is 6-(hydroxymethyl)-2,2-dimethyl-3,4-dihydropyran-4-ol.
What is the SMILES notation for 6-(hydroxymethyl)-2,2-dimethyl-3,4-dihydropyran-4-ol?
The canonical SMILES for 6-(hydroxymethyl)-2,2-dimethyl-3,4-dihydropyran-4-ol is CC1(C)CC(O)C=C(CO)O1.
What is the InChIKey of 6-(hydroxymethyl)-2,2-dimethyl-3,4-dihydropyran-4-ol?
The InChIKey is KRINXDJHVHVDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-8(2)4-6(10)3-7(5-9)11-8/h3,6,9-10H,4-5H2,1-2H3.
What are the key properties of 6-(hydroxymethyl)-2,2-dimethyl-3,4-dihydropyran-4-ol?
6-(hydroxymethyl)-2,2-dimethyl-3,4-dihydropyran-4-ol has a molecular weight of 158.20 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-2,2-dimethyl-3,4-dihydropyran-4-ol is sourced from PubChem (CID 10558895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).