1-(3,4-dihydro-2H-pyran-6-yl)octan-1-ol

C13H24O2 — CID 102646548

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)octan-1-ol
SMILESCCCCCCCC(O)C1=CCCCO1
InChIInChI=1S/C13H24O2/c1-2-3-4-5-6-9-12(14)13-10-7-8-11-15-13/h10,12,14H,2-9,11H2,1H3
InChIKeyPGJPMHAMTHQTIN-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.40
Rot. Bonds7

About 1-(3,4-dihydro-2H-pyran-6-yl)octan-1-ol

1-(3,4-dihydro-2H-pyran-6-yl)octan-1-ol (PubChem CID 102646548) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)octan-1-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)octan-1-ol
PubChem CID102646548
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)octan-1-ol
SMILESCCCCCCCC(O)C1=CCCCO1
InChIInChI=1S/C13H24O2/c1-2-3-4-5-6-9-12(14)13-10-7-8-11-15-13/h10,12,14H,2-9,11H2,1H3
InChIKeyPGJPMHAMTHQTIN-UHFFFAOYSA-N
XLogP3.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dihydro-2H-pyran-6-yl)nonan-1-ol
CID 102649817
1-(3,4-dihydro-2H-pyran-6-yl)-3-methylsulfanylpropan-1-ol
CID 102646549
(4-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanol
CID 102649753
2-(4-tert-butyl-2,6-dimethylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanol
CID 102654604
1-(cyclopenten-1-yl)hexan-1-ol
CID 62078915
2-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanol
CID 102646644
1-(3,4-dihydro-2H-pyran-6-yl)-3-(3-methylphenoxy)propan-1-ol
CID 102649671
1-(3,4-dihydro-2H-pyran-6-yl)-3-pyridin-2-ylpropan-1-ol
CID 102649748
1-(2,3-dihydrofuran-5-yl)-N-ethyldodecan-1-amine
CID 102653271
1-(2,3-dihydrofuran-5-yl)pentan-1-amine
CID 102651898
1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutane-1,2-diol
CID 103456632
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxybutan-1-ol
CID 102654872

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)octan-1-ol?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)octan-1-ol (CID 102646548) is 1-(3,4-dihydro-2H-pyran-6-yl)octan-1-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)octan-1-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)octan-1-ol is CCCCCCCC(O)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)octan-1-ol?
The InChIKey is PGJPMHAMTHQTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-2-3-4-5-6-9-12(14)13-10-7-8-11-15-13/h10,12,14H,2-9,11H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)octan-1-ol?
1-(3,4-dihydro-2H-pyran-6-yl)octan-1-ol has a molecular weight of 212.33 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)octan-1-ol is sourced from PubChem (CID 102646548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).