3-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-2-ol

C10H18O2 — CID 127009318

IUPAC3-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-2-ol
SMILESCC(O)C(C)C1CC2CCC1O2
InChIInChI=1S/C10H18O2/c1-6(7(2)11)9-5-8-3-4-10(9)12-8/h6-11H,3-5H2,1-2H3
InChIKeyUCLHJURNAAHXID-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.57
Rot. Bonds2

About 3-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-2-ol

3-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-2-ol (PubChem CID 127009318) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-2-ol.

Molecular Properties

Compound Name3-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-2-ol
PubChem CID127009318
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-2-ol
SMILESCC(O)C(C)C1CC2CCC1O2
InChIInChI=1S/C10H18O2/c1-6(7(2)11)9-5-8-3-4-10(9)12-8/h6-11H,3-5H2,1-2H3
InChIKeyUCLHJURNAAHXID-UHFFFAOYSA-N
XLogP1.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]urea
CID 131123362
1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanesulfonamide
CID 130966059
2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-amine
CID 79445783
N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanesulfonamide
CID 165445467
[2-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine
CID 105221485
2-(1-bromoethyl)-8-oxabicyclo[3.2.1]octane
CID 131062722
N-ethyl-2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)prop-2-en-1-amine
CID 79179487
1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1,3-thiazol-5-yl)ethanol
CID 112642536
7-oxabicyclo[2.2.1]heptan-2-yl-(4-phenylphenyl)methanol
CID 65455513
(2S)-2-methyl-7-oxabicyclo[2.2.1]heptane
CID 59747310
2,6-dioxatricyclo[3.3.2.03,7]decane
CID 12591241
(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol
CID 114643665

Frequently Asked Questions

What is the IUPAC name of 3-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-2-ol?
The IUPAC name of 3-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-2-ol (CID 127009318) is 3-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-2-ol.
What is the SMILES notation for 3-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-2-ol?
The canonical SMILES for 3-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-2-ol is CC(O)C(C)C1CC2CCC1O2.
What is the InChIKey of 3-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-2-ol?
The InChIKey is UCLHJURNAAHXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-6(7(2)11)9-5-8-3-4-10(9)12-8/h6-11H,3-5H2,1-2H3.
What are the key properties of 3-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-2-ol?
3-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-2-ol has a molecular weight of 170.25 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-2-ol is sourced from PubChem (CID 127009318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).