2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol

C12H20O2 — CID 164659731

IUPAC2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol
SMILESCC(C1CCC1)C(O)C1=COCCC1
InChIInChI=1S/C12H20O2/c1-9(10-4-2-5-10)12(13)11-6-3-7-14-8-11/h8-10,12-13H,2-7H2,1H3
InChIKeyFHQBIZDRWGAGPK-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.48
Rot. Bonds3

About 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol

2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol (PubChem CID 164659731) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol.

Molecular Properties

Compound Name2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol
PubChem CID164659731
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol
SMILESCC(C1CCC1)C(O)C1=COCCC1
InChIInChI=1S/C12H20O2/c1-9(10-4-2-5-10)12(13)11-6-3-7-14-8-11/h8-10,12-13H,2-7H2,1H3
InChIKeyFHQBIZDRWGAGPK-UHFFFAOYSA-N
XLogP2.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3,4-dihydro-2H-pyran-5-yl-(4-propan-2-ylcyclohexyl)methyl]hydrazine
CID 105232413
2-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine
CID 105033530
3,4-dihydro-2H-pyran-5-yl-(1-methylcyclopentyl)methanol
CID 115831607
(4-cyclopropylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol
CID 113370484
3-cyclobutylbutan-2-ol
CID 54399039
1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105179436
3-cyclohexyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylpropan-1-amine
CID 105033095
1-(3,4-dihydro-2H-pyran-5-yl)-3-ethylsulfanylpropan-1-ol
CID 116504683
N-[6-bicyclo[3.1.0]hexanyl(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine
CID 105033146
(5-chlorofuran-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanol
CID 106693982
1-(3,4-dihydro-2H-pyran-5-yl)-2-(1,3-dioxolan-2-yl)ethanamine
CID 103544151
N-[3,4-dihydro-2H-pyran-5-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 105179256

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol?
The IUPAC name of 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol (CID 164659731) is 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol.
What is the SMILES notation for 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol?
The canonical SMILES for 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol is CC(C1CCC1)C(O)C1=COCCC1.
What is the InChIKey of 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol?
The InChIKey is FHQBIZDRWGAGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-9(10-4-2-5-10)12(13)11-6-3-7-14-8-11/h8-10,12-13H,2-7H2,1H3.
What are the key properties of 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol?
2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol has a molecular weight of 196.29 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol is sourced from PubChem (CID 164659731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).