1-(3-butyloxetan-3-yl)butan-1-ol

C11H22O2 — CID 68634297

IUPAC1-(3-butyloxetan-3-yl)butan-1-ol
SMILESCCCCC1(C(O)CCC)COC1
InChIInChI=1S/C11H22O2/c1-3-5-7-11(8-13-9-11)10(12)6-4-2/h10,12H,3-9H2,1-2H3
InChIKeyAPJMUQLJSDEELU-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.35
Rot. Bonds6

About 1-(3-butyloxetan-3-yl)butan-1-ol

1-(3-butyloxetan-3-yl)butan-1-ol (PubChem CID 68634297) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 1-(3-butyloxetan-3-yl)butan-1-ol.

Molecular Properties

Compound Name1-(3-butyloxetan-3-yl)butan-1-ol
PubChem CID68634297
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name1-(3-butyloxetan-3-yl)butan-1-ol
SMILESCCCCC1(C(O)CCC)COC1
InChIInChI=1S/C11H22O2/c1-3-5-7-11(8-13-9-11)10(12)6-4-2/h10,12H,3-9H2,1-2H3
InChIKeyAPJMUQLJSDEELU-UHFFFAOYSA-N
XLogP2.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-butylcyclobutyl)hexan-1-ol
CID 143267865
1-[3-(aminomethyl)oxolan-3-yl]heptan-1-ol
CID 79137738
6-(3-butyloxetan-3-yl)hexan-1-ol
CID 68636171
3-(1-bromoethyl)-3-propyloxetane
CID 66885643
4-butyloxan-4-ol
CID 65145508
1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethylbutan-1-amine
CID 116913012
1-(1-butylcyclobutyl)prop-2-en-1-ol
CID 142645457
1-(4-ethoxyoxan-4-yl)butan-1-ol
CID 116754162
1-(4-methoxyoxan-4-yl)undecan-1-ol
CID 116753924
1-(4-ethoxyoxan-4-yl)nonan-1-ol
CID 116754253
1-(1-hexylcyclopropyl)ethanol
CID 106798180
3-(1-bromopropyl)-3-propyloxetane
CID 66885705

Frequently Asked Questions

What is the IUPAC name of 1-(3-butyloxetan-3-yl)butan-1-ol?
The IUPAC name of 1-(3-butyloxetan-3-yl)butan-1-ol (CID 68634297) is 1-(3-butyloxetan-3-yl)butan-1-ol.
What is the SMILES notation for 1-(3-butyloxetan-3-yl)butan-1-ol?
The canonical SMILES for 1-(3-butyloxetan-3-yl)butan-1-ol is CCCCC1(C(O)CCC)COC1.
What is the InChIKey of 1-(3-butyloxetan-3-yl)butan-1-ol?
The InChIKey is APJMUQLJSDEELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-3-5-7-11(8-13-9-11)10(12)6-4-2/h10,12H,3-9H2,1-2H3.
What are the key properties of 1-(3-butyloxetan-3-yl)butan-1-ol?
1-(3-butyloxetan-3-yl)butan-1-ol has a molecular weight of 186.29 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butyloxetan-3-yl)butan-1-ol is sourced from PubChem (CID 68634297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).