3-(3-methylbut-2-en-2-yl)-8-oxabicyclo[3.2.1]octan-3-ol

C12H20O2 — CID 171952903

IUPAC3-(3-methylbut-2-en-2-yl)-8-oxabicyclo[3.2.1]octan-3-ol
SMILESCC(C)=C(C)C1(O)CC2CCC(C1)O2
InChIInChI=1S/C12H20O2/c1-8(2)9(3)12(13)6-10-4-5-11(7-12)14-10/h10-11,13H,4-7H2,1-3H3
InChIKeyJYKNOVHGVNAUIZ-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.42
Rot. Bonds1

About 3-(3-methylbut-2-en-2-yl)-8-oxabicyclo[3.2.1]octan-3-ol

3-(3-methylbut-2-en-2-yl)-8-oxabicyclo[3.2.1]octan-3-ol (PubChem CID 171952903) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-(3-methylbut-2-en-2-yl)-8-oxabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(3-methylbut-2-en-2-yl)-8-oxabicyclo[3.2.1]octan-3-ol
PubChem CID171952903
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name3-(3-methylbut-2-en-2-yl)-8-oxabicyclo[3.2.1]octan-3-ol
SMILESCC(C)=C(C)C1(O)CC2CCC(C1)O2
InChIInChI=1S/C12H20O2/c1-8(2)9(3)12(13)6-10-4-5-11(7-12)14-10/h10-11,13H,4-7H2,1-3H3
InChIKeyJYKNOVHGVNAUIZ-UHFFFAOYSA-N
XLogP2.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbut-2-en-2-yl)-8-oxabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(3-methylbut-2-en-2-yl)-8-oxabicyclo[3.2.1]octan-3-ol (CID 171952903) is 3-(3-methylbut-2-en-2-yl)-8-oxabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(3-methylbut-2-en-2-yl)-8-oxabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(3-methylbut-2-en-2-yl)-8-oxabicyclo[3.2.1]octan-3-ol is CC(C)=C(C)C1(O)CC2CCC(C1)O2.
What is the InChIKey of 3-(3-methylbut-2-en-2-yl)-8-oxabicyclo[3.2.1]octan-3-ol?
The InChIKey is JYKNOVHGVNAUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-8(2)9(3)12(13)6-10-4-5-11(7-12)14-10/h10-11,13H,4-7H2,1-3H3.
What are the key properties of 3-(3-methylbut-2-en-2-yl)-8-oxabicyclo[3.2.1]octan-3-ol?
3-(3-methylbut-2-en-2-yl)-8-oxabicyclo[3.2.1]octan-3-ol has a molecular weight of 196.29 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbut-2-en-2-yl)-8-oxabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171952903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).