1-(3,3-dimethyl-2,4-dihydropyran-6-yl)cyclobutan-1-ol

C11H18O2 — CID 125478538

IUPAC1-(3,3-dimethyl-2,4-dihydropyran-6-yl)cyclobutan-1-ol
SMILESCC1(C)CC=C(C2(O)CCC2)OC1
InChIInChI=1S/C11H18O2/c1-10(2)7-4-9(13-8-10)11(12)5-3-6-11/h4,12H,3,5-8H2,1-2H3
InChIKeyGRGXDZDDJHGDGB-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.23
Rot. Bonds1

About 1-(3,3-dimethyl-2,4-dihydropyran-6-yl)cyclobutan-1-ol

1-(3,3-dimethyl-2,4-dihydropyran-6-yl)cyclobutan-1-ol (PubChem CID 125478538) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-(3,3-dimethyl-2,4-dihydropyran-6-yl)cyclobutan-1-ol.

Molecular Properties

Compound Name1-(3,3-dimethyl-2,4-dihydropyran-6-yl)cyclobutan-1-ol
PubChem CID125478538
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-(3,3-dimethyl-2,4-dihydropyran-6-yl)cyclobutan-1-ol
SMILESCC1(C)CC=C(C2(O)CCC2)OC1
InChIInChI=1S/C11H18O2/c1-10(2)7-4-9(13-8-10)11(12)5-3-6-11/h4,12H,3,5-8H2,1-2H3
InChIKeyGRGXDZDDJHGDGB-UHFFFAOYSA-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

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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-[(2S,4R)-2,4-dimethyl-3,4-dihydro-2H-pyran-6-yl]cyclobutan-1-ol
CID 134882771
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
(Z)-3-ethoxy-5,5-dimethylhept-2-en-4-ol
CID 142810502
(Z)-2,2-dimethyl-5-prop-1-en-2-yloxyoct-5-en-4-ol
CID 143077184
(Z)-6,6-dimethyl-3-propan-2-yloxyhept-2-en-4-ol
CID 143080358
1-(3,3-Dimethyl-2,4-dihydropyran-6-yl)cyclopropan-1-ol
CID 174717111

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethyl-2,4-dihydropyran-6-yl)cyclobutan-1-ol?
The IUPAC name of 1-(3,3-dimethyl-2,4-dihydropyran-6-yl)cyclobutan-1-ol (CID 125478538) is 1-(3,3-dimethyl-2,4-dihydropyran-6-yl)cyclobutan-1-ol.
What is the SMILES notation for 1-(3,3-dimethyl-2,4-dihydropyran-6-yl)cyclobutan-1-ol?
The canonical SMILES for 1-(3,3-dimethyl-2,4-dihydropyran-6-yl)cyclobutan-1-ol is CC1(C)CC=C(C2(O)CCC2)OC1.
What is the InChIKey of 1-(3,3-dimethyl-2,4-dihydropyran-6-yl)cyclobutan-1-ol?
The InChIKey is GRGXDZDDJHGDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-10(2)7-4-9(13-8-10)11(12)5-3-6-11/h4,12H,3,5-8H2,1-2H3.
What are the key properties of 1-(3,3-dimethyl-2,4-dihydropyran-6-yl)cyclobutan-1-ol?
1-(3,3-dimethyl-2,4-dihydropyran-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-(3,3-dimethyl-2,4-dihydropyran-6-yl)cyclobutan-1-ol is sourced from PubChem (CID 125478538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).