2-pentan-3-yl-8-oxabicyclo[3.2.1]octan-2-ol

C12H22O2 — CID 130941619

IUPAC2-pentan-3-yl-8-oxabicyclo[3.2.1]octan-2-ol
SMILESCCC(CC)C1(O)CCC2CCC1O2
InChIInChI=1S/C12H22O2/c1-3-9(4-2)12(13)8-7-10-5-6-11(12)14-10/h9-11,13H,3-8H2,1-2H3
InChIKeyULNFJQZPNNCZFN-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.50
Rot. Bonds3

About 2-pentan-3-yl-8-oxabicyclo[3.2.1]octan-2-ol

2-pentan-3-yl-8-oxabicyclo[3.2.1]octan-2-ol (PubChem CID 130941619) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-pentan-3-yl-8-oxabicyclo[3.2.1]octan-2-ol.

Molecular Properties

Compound Name2-pentan-3-yl-8-oxabicyclo[3.2.1]octan-2-ol
PubChem CID130941619
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-pentan-3-yl-8-oxabicyclo[3.2.1]octan-2-ol
SMILESCCC(CC)C1(O)CCC2CCC1O2
InChIInChI=1S/C12H22O2/c1-3-9(4-2)12(13)8-7-10-5-6-11(12)14-10/h9-11,13H,3-8H2,1-2H3
InChIKeyULNFJQZPNNCZFN-UHFFFAOYSA-N
XLogP2.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pentan-3-yl-8-oxabicyclo[3.2.1]octan-2-ol?
The IUPAC name of 2-pentan-3-yl-8-oxabicyclo[3.2.1]octan-2-ol (CID 130941619) is 2-pentan-3-yl-8-oxabicyclo[3.2.1]octan-2-ol.
What is the SMILES notation for 2-pentan-3-yl-8-oxabicyclo[3.2.1]octan-2-ol?
The canonical SMILES for 2-pentan-3-yl-8-oxabicyclo[3.2.1]octan-2-ol is CCC(CC)C1(O)CCC2CCC1O2.
What is the InChIKey of 2-pentan-3-yl-8-oxabicyclo[3.2.1]octan-2-ol?
The InChIKey is ULNFJQZPNNCZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-9(4-2)12(13)8-7-10-5-6-11(12)14-10/h9-11,13H,3-8H2,1-2H3.
What are the key properties of 2-pentan-3-yl-8-oxabicyclo[3.2.1]octan-2-ol?
2-pentan-3-yl-8-oxabicyclo[3.2.1]octan-2-ol has a molecular weight of 198.31 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-3-yl-8-oxabicyclo[3.2.1]octan-2-ol is sourced from PubChem (CID 130941619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).