3-ethyl-5-propan-2-yl-3,6-dihydro-2H-pyran-6-ol

C10H18O2 — CID 18783502

IUPAC3-ethyl-5-propan-2-yl-3,6-dihydro-2H-pyran-6-ol
SMILESCCC1C=C(C(C)C)C(O)OC1
InChIInChI=1S/C10H18O2/c1-4-8-5-9(7(2)3)10(11)12-6-8/h5,7-8,10-11H,4,6H2,1-3H3
InChIKeySHTNFKWYQFRLDH-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.94
Rot. Bonds2

About 3-ethyl-5-propan-2-yl-3,6-dihydro-2H-pyran-6-ol

3-ethyl-5-propan-2-yl-3,6-dihydro-2H-pyran-6-ol (PubChem CID 18783502) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-ethyl-5-propan-2-yl-3,6-dihydro-2H-pyran-6-ol.

Molecular Properties

Compound Name3-ethyl-5-propan-2-yl-3,6-dihydro-2H-pyran-6-ol
PubChem CID18783502
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-ethyl-5-propan-2-yl-3,6-dihydro-2H-pyran-6-ol
SMILESCCC1C=C(C(C)C)C(O)OC1
InChIInChI=1S/C10H18O2/c1-4-8-5-9(7(2)3)10(11)12-6-8/h5,7-8,10-11H,4,6H2,1-3H3
InChIKeySHTNFKWYQFRLDH-UHFFFAOYSA-N
XLogP1.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-propan-2-yl-3,6-dihydro-2H-pyran-6-ol?
The IUPAC name of 3-ethyl-5-propan-2-yl-3,6-dihydro-2H-pyran-6-ol (CID 18783502) is 3-ethyl-5-propan-2-yl-3,6-dihydro-2H-pyran-6-ol.
What is the SMILES notation for 3-ethyl-5-propan-2-yl-3,6-dihydro-2H-pyran-6-ol?
The canonical SMILES for 3-ethyl-5-propan-2-yl-3,6-dihydro-2H-pyran-6-ol is CCC1C=C(C(C)C)C(O)OC1.
What is the InChIKey of 3-ethyl-5-propan-2-yl-3,6-dihydro-2H-pyran-6-ol?
The InChIKey is SHTNFKWYQFRLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-8-5-9(7(2)3)10(11)12-6-8/h5,7-8,10-11H,4,6H2,1-3H3.
What are the key properties of 3-ethyl-5-propan-2-yl-3,6-dihydro-2H-pyran-6-ol?
3-ethyl-5-propan-2-yl-3,6-dihydro-2H-pyran-6-ol has a molecular weight of 170.25 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-propan-2-yl-3,6-dihydro-2H-pyran-6-ol is sourced from PubChem (CID 18783502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).