3-[(2-methylpropan-2-yl)oxy]-2-propoxycyclobutan-1-ol

C11H22O3 — CID 107942520

IUPAC3-[(2-methylpropan-2-yl)oxy]-2-propoxycyclobutan-1-ol
SMILESCCCOC1C(O)CC1OC(C)(C)C
InChIInChI=1S/C11H22O3/c1-5-6-13-10-8(12)7-9(10)14-11(2,3)4/h8-10,12H,5-7H2,1-4H3
InChIKeyCXDAZFVUNWDONP-UHFFFAOYSA-N
MW202.29 g/mol
LogP1.73
Rot. Bonds4

About 3-[(2-methylpropan-2-yl)oxy]-2-propoxycyclobutan-1-ol

3-[(2-methylpropan-2-yl)oxy]-2-propoxycyclobutan-1-ol (PubChem CID 107942520) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]-2-propoxycyclobutan-1-ol.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]-2-propoxycyclobutan-1-ol
PubChem CID107942520
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name3-[(2-methylpropan-2-yl)oxy]-2-propoxycyclobutan-1-ol
SMILESCCCOC1C(O)CC1OC(C)(C)C
InChIInChI=1S/C11H22O3/c1-5-6-13-10-8(12)7-9(10)14-11(2,3)4/h8-10,12H,5-7H2,1-4H3
InChIKeyCXDAZFVUNWDONP-UHFFFAOYSA-N
XLogP1.73
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-propoxy-3-(2-propoxyethoxy)cyclobutan-1-ol
CID 107942594
2-propoxy-3-(3,3,3-trifluoropropoxy)cyclobutan-1-ol
CID 107942629
2-propoxycyclopropan-1-ol
CID 174614862
3-(2,2-difluoroethoxy)-2-propoxycyclobutan-1-ol
CID 107942627
3-(3-methylbutan-2-yloxy)-2-propoxycyclobutan-1-ol
CID 107942618
3-cyclohexyloxy-2-propoxycyclobutan-1-ol
CID 107942480
3-(1-methoxypropan-2-yloxy)-2-propoxycyclobutan-1-ol
CID 107942599
3-(2-cyclopropylethoxy)-2-ethoxycyclobutan-1-ol
CID 106207193
3-(3,5-difluorophenoxy)-2-propoxycyclobutan-1-ol
CID 107942588
3-(4-bromophenoxy)-2-propoxycyclobutan-1-ol
CID 114018846
3-(3,5-dichlorophenoxy)-2-propoxycyclobutan-1-ol
CID 107942554
3-(2,6-dibromophenoxy)-2-propoxycyclobutan-1-ol
CID 114018850

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-2-propoxycyclobutan-1-ol?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-2-propoxycyclobutan-1-ol (CID 107942520) is 3-[(2-methylpropan-2-yl)oxy]-2-propoxycyclobutan-1-ol.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]-2-propoxycyclobutan-1-ol?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]-2-propoxycyclobutan-1-ol is CCCOC1C(O)CC1OC(C)(C)C.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]-2-propoxycyclobutan-1-ol?
The InChIKey is CXDAZFVUNWDONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-5-6-13-10-8(12)7-9(10)14-11(2,3)4/h8-10,12H,5-7H2,1-4H3.
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]-2-propoxycyclobutan-1-ol?
3-[(2-methylpropan-2-yl)oxy]-2-propoxycyclobutan-1-ol has a molecular weight of 202.29 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]-2-propoxycyclobutan-1-ol is sourced from PubChem (CID 107942520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).