1-[(2S,4R)-2,4-dimethyl-3,4-dihydro-2H-pyran-6-yl]cyclobutan-1-ol

C11H18O2 — CID 134882771

IUPAC1-[(2S,4R)-2,4-dimethyl-3,4-dihydro-2H-pyran-6-yl]cyclobutan-1-ol
SMILESC[C@H]1C=C(C2(O)CCC2)O[C@@H](C)C1
InChIInChI=1S/C11H18O2/c1-8-6-9(2)13-10(7-8)11(12)4-3-5-11/h7-9,12H,3-6H2,1-2H3/t8-,9+/m1/s1
InChIKeyFLYKYJRIIAZDAJ-BDAKNGLRSA-N
MW182.26 g/mol
LogP2.23
Rot. Bonds1

About 1-[(2S,4R)-2,4-dimethyl-3,4-dihydro-2H-pyran-6-yl]cyclobutan-1-ol

1-[(2S,4R)-2,4-dimethyl-3,4-dihydro-2H-pyran-6-yl]cyclobutan-1-ol (PubChem CID 134882771) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-[(2S,4R)-2,4-dimethyl-3,4-dihydro-2H-pyran-6-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[(2S,4R)-2,4-dimethyl-3,4-dihydro-2H-pyran-6-yl]cyclobutan-1-ol
PubChem CID134882771
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-[(2S,4R)-2,4-dimethyl-3,4-dihydro-2H-pyran-6-yl]cyclobutan-1-ol
SMILESC[C@H]1C=C(C2(O)CCC2)O[C@@H](C)C1
InChIInChI=1S/C11H18O2/c1-8-6-9(2)13-10(7-8)11(12)4-3-5-11/h7-9,12H,3-6H2,1-2H3/t8-,9+/m1/s1
InChIKeyFLYKYJRIIAZDAJ-BDAKNGLRSA-N
XLogP2.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2S,4R)-2,4-dimethyl-3,4-dihydro-2H-pyran-6-yl]cyclobutan-1-ol with MolForge

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Related Compounds

1-(2,3-Dihydrofuran-5-yl)cyclobutan-1-ol
CID 10820609
1-(3-ethyl-3,4-dihydro-2H-pyran-6-yl)cyclobutan-1-ol
CID 85718076
1-(3,4-dihydro-2H-pyran-6-yl)cyclobutan-1-ol
CID 102296518
1-(2,2-Dimethyl-3,4-dihydropyran-6-yl)cyclobutan-1-ol
CID 102296519
1-(2,2-Diethyl-3,4-dihydropyran-6-yl)cyclobutan-1-ol
CID 102296520
1-(3,3-Dimethyl-2,4-dihydropyran-6-yl)cyclobutan-1-ol
CID 125478538
1-(4,4-Dimethyl-2,3-dihydropyran-6-yl)cyclobutan-1-ol
CID 135078002
1-(2,2-dimethyl-3H-furan-5-yl)cyclobutan-1-ol
CID 135083731
2-Butan-2-yloxy-1-prop-1-ynylcyclopent-2-en-1-ol
CID 10081346
6-(Hydroxymethyl)-2,2-dimethyl-3,4-dihydropyran-4-ol
CID 10558895
2-(3,4-dihydro-2H-pyran-6-yl)butan-2-ol
CID 12608921
3-(3,4-dihydro-2H-pyran-6-yl)pentan-3-ol
CID 12608922

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R)-2,4-dimethyl-3,4-dihydro-2H-pyran-6-yl]cyclobutan-1-ol?
The IUPAC name of 1-[(2S,4R)-2,4-dimethyl-3,4-dihydro-2H-pyran-6-yl]cyclobutan-1-ol (CID 134882771) is 1-[(2S,4R)-2,4-dimethyl-3,4-dihydro-2H-pyran-6-yl]cyclobutan-1-ol.
What is the SMILES notation for 1-[(2S,4R)-2,4-dimethyl-3,4-dihydro-2H-pyran-6-yl]cyclobutan-1-ol?
The canonical SMILES for 1-[(2S,4R)-2,4-dimethyl-3,4-dihydro-2H-pyran-6-yl]cyclobutan-1-ol is C[C@H]1C=C(C2(O)CCC2)O[C@@H](C)C1.
What is the InChIKey of 1-[(2S,4R)-2,4-dimethyl-3,4-dihydro-2H-pyran-6-yl]cyclobutan-1-ol?
The InChIKey is FLYKYJRIIAZDAJ-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H18O2/c1-8-6-9(2)13-10(7-8)11(12)4-3-5-11/h7-9,12H,3-6H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of 1-[(2S,4R)-2,4-dimethyl-3,4-dihydro-2H-pyran-6-yl]cyclobutan-1-ol?
1-[(2S,4R)-2,4-dimethyl-3,4-dihydro-2H-pyran-6-yl]cyclobutan-1-ol has a molecular weight of 182.26 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R)-2,4-dimethyl-3,4-dihydro-2H-pyran-6-yl]cyclobutan-1-ol is sourced from PubChem (CID 134882771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).