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

C11H20O2 — CID 18783509

IUPAC5-propan-2-yl-3-propyl-3,6-dihydro-2H-pyran-6-ol
SMILESCCCC1C=C(C(C)C)C(O)OC1
InChIInChI=1S/C11H20O2/c1-4-5-9-6-10(8(2)3)11(12)13-7-9/h6,8-9,11-12H,4-5,7H2,1-3H3
InChIKeyXCKMKPXFCRNOBX-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.33
Rot. Bonds3

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

5-propan-2-yl-3-propyl-3,6-dihydro-2H-pyran-6-ol (PubChem CID 18783509) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 5-propan-2-yl-3-propyl-3,6-dihydro-2H-pyran-6-ol.

Molecular Properties

Compound Name5-propan-2-yl-3-propyl-3,6-dihydro-2H-pyran-6-ol
PubChem CID18783509
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name5-propan-2-yl-3-propyl-3,6-dihydro-2H-pyran-6-ol
SMILESCCCC1C=C(C(C)C)C(O)OC1
InChIInChI=1S/C11H20O2/c1-4-5-9-6-10(8(2)3)11(12)13-7-9/h6,8-9,11-12H,4-5,7H2,1-3H3
InChIKeyXCKMKPXFCRNOBX-UHFFFAOYSA-N
XLogP2.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.33
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 5-propan-2-yl-3-propyl-3,6-dihydro-2H-pyran-6-ol?
The IUPAC name of 5-propan-2-yl-3-propyl-3,6-dihydro-2H-pyran-6-ol (CID 18783509) is 5-propan-2-yl-3-propyl-3,6-dihydro-2H-pyran-6-ol.
What is the SMILES notation for 5-propan-2-yl-3-propyl-3,6-dihydro-2H-pyran-6-ol?
The canonical SMILES for 5-propan-2-yl-3-propyl-3,6-dihydro-2H-pyran-6-ol is CCCC1C=C(C(C)C)C(O)OC1.
What is the InChIKey of 5-propan-2-yl-3-propyl-3,6-dihydro-2H-pyran-6-ol?
The InChIKey is XCKMKPXFCRNOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-5-9-6-10(8(2)3)11(12)13-7-9/h6,8-9,11-12H,4-5,7H2,1-3H3.
What are the key properties of 5-propan-2-yl-3-propyl-3,6-dihydro-2H-pyran-6-ol?
5-propan-2-yl-3-propyl-3,6-dihydro-2H-pyran-6-ol has a molecular weight of 184.28 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3-propyl-3,6-dihydro-2H-pyran-6-ol is sourced from PubChem (CID 18783509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).