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

C13H22O2 — CID 102296520

IUPAC1-(2,2-diethyl-3,4-dihydropyran-6-yl)cyclobutan-1-ol
SMILESCCC1(CC)CCC=C(C2(O)CCC2)O1
InChIInChI=1S/C13H22O2/c1-3-12(4-2)8-5-7-11(15-12)13(14)9-6-10-13/h7,14H,3-6,8-10H2,1-2H3
InChIKeyFWNQORXVBMCLRF-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.15
Rot. Bonds3

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

1-(2,2-diethyl-3,4-dihydropyran-6-yl)cyclobutan-1-ol (PubChem CID 102296520) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(2,2-diethyl-3,4-dihydropyran-6-yl)cyclobutan-1-ol.

Molecular Properties

Compound Name1-(2,2-diethyl-3,4-dihydropyran-6-yl)cyclobutan-1-ol
PubChem CID102296520
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name1-(2,2-diethyl-3,4-dihydropyran-6-yl)cyclobutan-1-ol
SMILESCCC1(CC)CCC=C(C2(O)CCC2)O1
InChIInChI=1S/C13H22O2/c1-3-12(4-2)8-5-7-11(15-12)13(14)9-6-10-13/h7,14H,3-6,8-10H2,1-2H3
InChIKeyFWNQORXVBMCLRF-UHFFFAOYSA-N
XLogP3.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5,6-Dihydro-4H-pyran-2-yl)-cyclopentanol
CID 10559037
1-[2,2-Bis(prop-2-enyl)-3,4-dihydropyran-6-yl]cyclobutan-1-ol
CID 44541397
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-(3,3-Dimethyl-2,4-dihydropyran-6-yl)cyclobutan-1-ol
CID 125478538
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
3-(3,4-dihydro-2H-pyran-6-yl)pentan-3-ol
CID 12608922
1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)cyclobutan-1-ol
CID 85718080
2-(3,4-dihydro-2H-pyran-6-yl)-3-methylpentan-2-ol
CID 102646419

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethyl-3,4-dihydropyran-6-yl)cyclobutan-1-ol?
The IUPAC name of 1-(2,2-diethyl-3,4-dihydropyran-6-yl)cyclobutan-1-ol (CID 102296520) is 1-(2,2-diethyl-3,4-dihydropyran-6-yl)cyclobutan-1-ol.
What is the SMILES notation for 1-(2,2-diethyl-3,4-dihydropyran-6-yl)cyclobutan-1-ol?
The canonical SMILES for 1-(2,2-diethyl-3,4-dihydropyran-6-yl)cyclobutan-1-ol is CCC1(CC)CCC=C(C2(O)CCC2)O1.
What is the InChIKey of 1-(2,2-diethyl-3,4-dihydropyran-6-yl)cyclobutan-1-ol?
The InChIKey is FWNQORXVBMCLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-3-12(4-2)8-5-7-11(15-12)13(14)9-6-10-13/h7,14H,3-6,8-10H2,1-2H3.
What are the key properties of 1-(2,2-diethyl-3,4-dihydropyran-6-yl)cyclobutan-1-ol?
1-(2,2-diethyl-3,4-dihydropyran-6-yl)cyclobutan-1-ol has a molecular weight of 210.32 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethyl-3,4-dihydropyran-6-yl)cyclobutan-1-ol is sourced from PubChem (CID 102296520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).