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

C10H16O3 — CID 164650857

IUPAC3-(3,4-dihydro-2H-pyran-6-yl)-4-methyloxolan-3-ol
SMILESCC1COCC1(O)C1=CCCCO1
InChIInChI=1S/C10H16O3/c1-8-6-12-7-10(8,11)9-4-2-3-5-13-9/h4,8,11H,2-3,5-7H2,1H3
InChIKeyFCCRWURTSCYKRJ-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.08
Rot. Bonds1

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

3-(3,4-dihydro-2H-pyran-6-yl)-4-methyloxolan-3-ol (PubChem CID 164650857) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-pyran-6-yl)-4-methyloxolan-3-ol.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-pyran-6-yl)-4-methyloxolan-3-ol
PubChem CID164650857
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name3-(3,4-dihydro-2H-pyran-6-yl)-4-methyloxolan-3-ol
SMILESCC1COCC1(O)C1=CCCCO1
InChIInChI=1S/C10H16O3/c1-8-6-12-7-10(8,11)9-4-2-3-5-13-9/h4,8,11H,2-3,5-7H2,1H3
InChIKeyFCCRWURTSCYKRJ-UHFFFAOYSA-N
XLogP1.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-pyran-6-yl)-4-methyloxolan-3-ol?
The IUPAC name of 3-(3,4-dihydro-2H-pyran-6-yl)-4-methyloxolan-3-ol (CID 164650857) is 3-(3,4-dihydro-2H-pyran-6-yl)-4-methyloxolan-3-ol.
What is the SMILES notation for 3-(3,4-dihydro-2H-pyran-6-yl)-4-methyloxolan-3-ol?
The canonical SMILES for 3-(3,4-dihydro-2H-pyran-6-yl)-4-methyloxolan-3-ol is CC1COCC1(O)C1=CCCCO1.
What is the InChIKey of 3-(3,4-dihydro-2H-pyran-6-yl)-4-methyloxolan-3-ol?
The InChIKey is FCCRWURTSCYKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-8-6-12-7-10(8,11)9-4-2-3-5-13-9/h4,8,11H,2-3,5-7H2,1H3.
What are the key properties of 3-(3,4-dihydro-2H-pyran-6-yl)-4-methyloxolan-3-ol?
3-(3,4-dihydro-2H-pyran-6-yl)-4-methyloxolan-3-ol has a molecular weight of 184.23 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-pyran-6-yl)-4-methyloxolan-3-ol is sourced from PubChem (CID 164650857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).