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

C10H18O2 — CID 12608922

IUPAC3-(3,4-dihydro-2H-pyran-6-yl)pentan-3-ol
SMILESCCC(O)(CC)C1=CCCCO1
InChIInChI=1S/C10H18O2/c1-3-10(11,4-2)9-7-5-6-8-12-9/h7,11H,3-6,8H2,1-2H3
InChIKeyWONGEDIIBQWZIV-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.23
Rot. Bonds3

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

3-(3,4-dihydro-2H-pyran-6-yl)pentan-3-ol (PubChem CID 12608922) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-pyran-6-yl)pentan-3-ol.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-pyran-6-yl)pentan-3-ol
PubChem CID12608922
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-(3,4-dihydro-2H-pyran-6-yl)pentan-3-ol
SMILESCCC(O)(CC)C1=CCCCO1
InChIInChI=1S/C10H18O2/c1-3-10(11,4-2)9-7-5-6-8-12-9/h7,11H,3-6,8H2,1-2H3
InChIKeyWONGEDIIBQWZIV-UHFFFAOYSA-N
XLogP2.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-pyran-6-yl)pentan-3-ol?
The IUPAC name of 3-(3,4-dihydro-2H-pyran-6-yl)pentan-3-ol (CID 12608922) is 3-(3,4-dihydro-2H-pyran-6-yl)pentan-3-ol.
What is the SMILES notation for 3-(3,4-dihydro-2H-pyran-6-yl)pentan-3-ol?
The canonical SMILES for 3-(3,4-dihydro-2H-pyran-6-yl)pentan-3-ol is CCC(O)(CC)C1=CCCCO1.
What is the InChIKey of 3-(3,4-dihydro-2H-pyran-6-yl)pentan-3-ol?
The InChIKey is WONGEDIIBQWZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-10(11,4-2)9-7-5-6-8-12-9/h7,11H,3-6,8H2,1-2H3.
What are the key properties of 3-(3,4-dihydro-2H-pyran-6-yl)pentan-3-ol?
3-(3,4-dihydro-2H-pyran-6-yl)pentan-3-ol has a molecular weight of 170.25 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-pyran-6-yl)pentan-3-ol is sourced from PubChem (CID 12608922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).