1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one

C11H18O2 — CID 102648616

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one
SMILESCCCCCC(=O)C1=CCCCO1
InChIInChI=1S/C11H18O2/c1-2-3-4-7-10(12)11-8-5-6-9-13-11/h8H,2-7,9H2,1H3
InChIKeyXJYOPIKOIISNOQ-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.83
Rot. Bonds5

About 1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one

1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one (PubChem CID 102648616) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one
PubChem CID102648616
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one
SMILESCCCCCC(=O)C1=CCCCO1
InChIInChI=1S/C11H18O2/c1-2-3-4-7-10(12)11-8-5-6-9-13-11/h8H,2-7,9H2,1H3
InChIKeyXJYOPIKOIISNOQ-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one
CID 102648355
4-amino-1-(2,3-dihydrofuran-5-yl)butan-1-one
CID 102652411
1-(3,4-dihydro-2H-pyran-6-yl)-2-(propan-2-ylamino)ethanone
CID 102648293
1-(cyclopenten-1-yl)tridecan-1-one
CID 103448100
1-(3,4-dihydro-2H-pyran-6-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 102648692
(2E)-2-benzylidene-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one
CID 135079434
2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one
CID 102648365
1-(3,4-dihydro-2H-pyran-6-yl)-3-ethyl-2-hydroxypentan-1-one
CID 103458414
2-(1-aminocyclobutyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
CID 102648423
1-(3,4-dihydro-2H-pyran-6-yl)octan-1-ol
CID 102646548
2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-one
CID 102648313
3-(4-aminophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one
CID 102648498

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one (CID 102648616) is 1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one is CCCCCC(=O)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one?
The InChIKey is XJYOPIKOIISNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-3-4-7-10(12)11-8-5-6-9-13-11/h8H,2-7,9H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one?
1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one has a molecular weight of 182.26 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 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)hexan-1-one is sourced from PubChem (CID 102648616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).