6-(3-butyloxetan-3-yl)hexan-1-ol

C13H26O2 — CID 68636171

IUPAC6-(3-butyloxetan-3-yl)hexan-1-ol
SMILESCCCCC1(CCCCCCO)COC1
InChIInChI=1S/C13H26O2/c1-2-3-8-13(11-15-12-13)9-6-4-5-7-10-14/h14H,2-12H2,1H3
InChIKeyZONMHPMFFPIZGQ-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.14
Rot. Bonds9

About 6-(3-butyloxetan-3-yl)hexan-1-ol

6-(3-butyloxetan-3-yl)hexan-1-ol (PubChem CID 68636171) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 6-(3-butyloxetan-3-yl)hexan-1-ol.

Molecular Properties

Compound Name6-(3-butyloxetan-3-yl)hexan-1-ol
PubChem CID68636171
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name6-(3-butyloxetan-3-yl)hexan-1-ol
SMILESCCCCC1(CCCCCCO)COC1
InChIInChI=1S/C13H26O2/c1-2-3-8-13(11-15-12-13)9-6-4-5-7-10-14/h14H,2-12H2,1H3
InChIKeyZONMHPMFFPIZGQ-UHFFFAOYSA-N
XLogP3.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(3-propyloxetan-3-yl)pentan-1-ol
CID 68635541
5,5-dibutyl-1,3-dioxane
CID 139570230
5-(2-butyloxetan-2-yl)pentan-1-ol
CID 68634835
(3-octyloxan-3-yl)methanol
CID 66058603
7-(2-decyl-1,3-dioxolan-2-yl)heptan-1-ol
CID 10359175
(4-octyloxan-4-yl)methanol
CID 66024090
[5-(hydroxymethyl)-2,2-di(undecyl)-1,3-dioxan-5-yl]methanol
CID 10961485
hexan-1-ol;nonane
CID 175106830
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398

Frequently Asked Questions

What is the IUPAC name of 6-(3-butyloxetan-3-yl)hexan-1-ol?
The IUPAC name of 6-(3-butyloxetan-3-yl)hexan-1-ol (CID 68636171) is 6-(3-butyloxetan-3-yl)hexan-1-ol.
What is the SMILES notation for 6-(3-butyloxetan-3-yl)hexan-1-ol?
The canonical SMILES for 6-(3-butyloxetan-3-yl)hexan-1-ol is CCCCC1(CCCCCCO)COC1.
What is the InChIKey of 6-(3-butyloxetan-3-yl)hexan-1-ol?
The InChIKey is ZONMHPMFFPIZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-2-3-8-13(11-15-12-13)9-6-4-5-7-10-14/h14H,2-12H2,1H3.
What are the key properties of 6-(3-butyloxetan-3-yl)hexan-1-ol?
6-(3-butyloxetan-3-yl)hexan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-butyloxetan-3-yl)hexan-1-ol is sourced from PubChem (CID 68636171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).