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

C9H16O2 — CID 12608921

IUPAC2-(3,4-dihydro-2H-pyran-6-yl)butan-2-ol
SMILESCCC(C)(O)C1=CCCCO1
InChIInChI=1S/C9H16O2/c1-3-9(2,10)8-6-4-5-7-11-8/h6,10H,3-5,7H2,1-2H3
InChIKeyYAPYITXEUAGUER-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.84
Rot. Bonds2

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

2-(3,4-dihydro-2H-pyran-6-yl)butan-2-ol (PubChem CID 12608921) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyran-6-yl)butan-2-ol.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyran-6-yl)butan-2-ol
PubChem CID12608921
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-(3,4-dihydro-2H-pyran-6-yl)butan-2-ol
SMILESCCC(C)(O)C1=CCCCO1
InChIInChI=1S/C9H16O2/c1-3-9(2,10)8-6-4-5-7-11-8/h6,10H,3-5,7H2,1-2H3
InChIKeyYAPYITXEUAGUER-UHFFFAOYSA-N
XLogP1.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.84
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)butan-2-ol?
The IUPAC name of 2-(3,4-dihydro-2H-pyran-6-yl)butan-2-ol (CID 12608921) is 2-(3,4-dihydro-2H-pyran-6-yl)butan-2-ol.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyran-6-yl)butan-2-ol?
The canonical SMILES for 2-(3,4-dihydro-2H-pyran-6-yl)butan-2-ol is CCC(C)(O)C1=CCCCO1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyran-6-yl)butan-2-ol?
The InChIKey is YAPYITXEUAGUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-9(2,10)8-6-4-5-7-11-8/h6,10H,3-5,7H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-2H-pyran-6-yl)butan-2-ol?
2-(3,4-dihydro-2H-pyran-6-yl)butan-2-ol has a molecular weight of 156.22 g/mol, XLogP of 1.84, 2 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)butan-2-ol is sourced from PubChem (CID 12608921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).