(3R)-4-oxatricyclo[5.2.1.02,6]decan-3-ol

C9H14O2 — CID 169044740

IUPAC(3R)-4-oxatricyclo[5.2.1.02,6]decan-3-ol
SMILESOC1OCC2C3CCC(C3)C12
InChIInChI=1S/C9H14O2/c10-9-8-6-2-1-5(3-6)7(8)4-11-9/h5-10H,1-4H2
InChIKeyZAWDYOYSASFTAX-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.00
Rot. Bonds

About (3R)-4-oxatricyclo[5.2.1.02,6]decan-3-ol

(3R)-4-oxatricyclo[5.2.1.02,6]decan-3-ol (PubChem CID 169044740) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (3R)-4-oxatricyclo[5.2.1.02,6]decan-3-ol.

Molecular Properties

Compound Name(3R)-4-oxatricyclo[5.2.1.02,6]decan-3-ol
PubChem CID169044740
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(3R)-4-oxatricyclo[5.2.1.02,6]decan-3-ol
SMILESOC1OCC2C3CCC(C3)C12
InChIInChI=1S/C9H14O2/c10-9-8-6-2-1-5(3-6)7(8)4-11-9/h5-10H,1-4H2
InChIKeyZAWDYOYSASFTAX-UHFFFAOYSA-N
XLogP1.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-oxatricyclo[5.2.1.02,6]decan-3-ol?
The IUPAC name of (3R)-4-oxatricyclo[5.2.1.02,6]decan-3-ol (CID 169044740) is (3R)-4-oxatricyclo[5.2.1.02,6]decan-3-ol.
What is the SMILES notation for (3R)-4-oxatricyclo[5.2.1.02,6]decan-3-ol?
The canonical SMILES for (3R)-4-oxatricyclo[5.2.1.02,6]decan-3-ol is OC1OCC2C3CCC(C3)C12.
What is the InChIKey of (3R)-4-oxatricyclo[5.2.1.02,6]decan-3-ol?
The InChIKey is ZAWDYOYSASFTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c10-9-8-6-2-1-5(3-6)7(8)4-11-9/h5-10H,1-4H2.
What are the key properties of (3R)-4-oxatricyclo[5.2.1.02,6]decan-3-ol?
(3R)-4-oxatricyclo[5.2.1.02,6]decan-3-ol has a molecular weight of 154.21 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-oxatricyclo[5.2.1.02,6]decan-3-ol is sourced from PubChem (CID 169044740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).