6-(2H-pyran-4-yl)hexan-1-ol

C11H18O2 — CID 19797287

IUPAC6-(2H-pyran-4-yl)hexan-1-ol
SMILESOCCCCCCC1=CCOC=C1
InChIInChI=1S/C11H18O2/c12-8-4-2-1-3-5-11-6-9-13-10-7-11/h6-7,9,12H,1-5,8,10H2
InChIKeyNLXCOWHUFPFPKC-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.40
Rot. Bonds6

About 6-(2H-pyran-4-yl)hexan-1-ol

6-(2H-pyran-4-yl)hexan-1-ol (PubChem CID 19797287) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 6-(2H-pyran-4-yl)hexan-1-ol.

Molecular Properties

Compound Name6-(2H-pyran-4-yl)hexan-1-ol
PubChem CID19797287
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name6-(2H-pyran-4-yl)hexan-1-ol
SMILESOCCCCCCC1=CCOC=C1
InChIInChI=1S/C11H18O2/c12-8-4-2-1-3-5-11-6-9-13-10-7-11/h6-7,9,12H,1-5,8,10H2
InChIKeyNLXCOWHUFPFPKC-UHFFFAOYSA-N
XLogP2.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.40
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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Frequently Asked Questions

What is the IUPAC name of 6-(2H-pyran-4-yl)hexan-1-ol?
The IUPAC name of 6-(2H-pyran-4-yl)hexan-1-ol (CID 19797287) is 6-(2H-pyran-4-yl)hexan-1-ol.
What is the SMILES notation for 6-(2H-pyran-4-yl)hexan-1-ol?
The canonical SMILES for 6-(2H-pyran-4-yl)hexan-1-ol is OCCCCCCC1=CCOC=C1.
What is the InChIKey of 6-(2H-pyran-4-yl)hexan-1-ol?
The InChIKey is NLXCOWHUFPFPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c12-8-4-2-1-3-5-11-6-9-13-10-7-11/h6-7,9,12H,1-5,8,10H2.
What are the key properties of 6-(2H-pyran-4-yl)hexan-1-ol?
6-(2H-pyran-4-yl)hexan-1-ol has a molecular weight of 182.26 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2H-pyran-4-yl)hexan-1-ol is sourced from PubChem (CID 19797287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).