3-(3-methylbutan-2-yloxy)-2-propoxycyclobutan-1-ol

C12H24O3 — CID 107942618

IUPAC3-(3-methylbutan-2-yloxy)-2-propoxycyclobutan-1-ol
SMILESCCCOC1C(O)CC1OC(C)C(C)C
InChIInChI=1S/C12H24O3/c1-5-6-14-12-10(13)7-11(12)15-9(4)8(2)3/h8-13H,5-7H2,1-4H3
InChIKeyLHTYFOOAFQUXLR-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.98
Rot. Bonds6

About 3-(3-methylbutan-2-yloxy)-2-propoxycyclobutan-1-ol

3-(3-methylbutan-2-yloxy)-2-propoxycyclobutan-1-ol (PubChem CID 107942618) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-(3-methylbutan-2-yloxy)-2-propoxycyclobutan-1-ol.

Molecular Properties

Compound Name3-(3-methylbutan-2-yloxy)-2-propoxycyclobutan-1-ol
PubChem CID107942618
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name3-(3-methylbutan-2-yloxy)-2-propoxycyclobutan-1-ol
SMILESCCCOC1C(O)CC1OC(C)C(C)C
InChIInChI=1S/C12H24O3/c1-5-6-14-12-10(13)7-11(12)15-9(4)8(2)3/h8-13H,5-7H2,1-4H3
InChIKeyLHTYFOOAFQUXLR-UHFFFAOYSA-N
XLogP1.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-methoxypropan-2-yloxy)-2-propoxycyclobutan-1-ol
CID 107942599
3-(2,2-difluoroethoxy)-2-propoxycyclobutan-1-ol
CID 107942627
2-propoxy-3-(2-propoxyethoxy)cyclobutan-1-ol
CID 107942594
3-[(2-methylpropan-2-yl)oxy]-2-propoxycyclobutan-1-ol
CID 107942520
2-ethoxy-3-pentan-2-yloxycyclobutan-1-ol
CID 102988633
2-propoxycyclopropan-1-ol
CID 174614862
3-cyclohexyloxy-2-propoxycyclobutan-1-ol
CID 107942480
2-propoxy-3-(3,3,3-trifluoropropoxy)cyclobutan-1-ol
CID 107942629
3-(1-propan-2-ylpyrazol-4-yl)oxy-2-propoxycyclobutan-1-ol
CID 107942647
2-ethoxy-3-(1-ethoxypropan-2-yloxy)cyclobutan-1-ol
CID 103491287
1-chloro-2-ethoxy-3-(3-methylbutan-2-yloxy)cyclobutane
CID 104675868
2-methoxy-3-pentan-2-yloxycyclobutan-1-ol
CID 102988631

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutan-2-yloxy)-2-propoxycyclobutan-1-ol?
The IUPAC name of 3-(3-methylbutan-2-yloxy)-2-propoxycyclobutan-1-ol (CID 107942618) is 3-(3-methylbutan-2-yloxy)-2-propoxycyclobutan-1-ol.
What is the SMILES notation for 3-(3-methylbutan-2-yloxy)-2-propoxycyclobutan-1-ol?
The canonical SMILES for 3-(3-methylbutan-2-yloxy)-2-propoxycyclobutan-1-ol is CCCOC1C(O)CC1OC(C)C(C)C.
What is the InChIKey of 3-(3-methylbutan-2-yloxy)-2-propoxycyclobutan-1-ol?
The InChIKey is LHTYFOOAFQUXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-5-6-14-12-10(13)7-11(12)15-9(4)8(2)3/h8-13H,5-7H2,1-4H3.
What are the key properties of 3-(3-methylbutan-2-yloxy)-2-propoxycyclobutan-1-ol?
3-(3-methylbutan-2-yloxy)-2-propoxycyclobutan-1-ol has a molecular weight of 216.32 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutan-2-yloxy)-2-propoxycyclobutan-1-ol is sourced from PubChem (CID 107942618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).