2-oxatricyclo[3.3.1.13,7]decan-5-ol

C9H14O2 — CID 59053799

IUPAC2-oxatricyclo[3.3.1.13,7]decan-5-ol
SMILESOC12CC3CC(C1)OC(C3)C2
InChIInChI=1S/C9H14O2/c10-9-3-6-1-7(4-9)11-8(2-6)5-9/h6-8,10H,1-5H2
InChIKeyNYNSDHIHRUKTBY-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.08
Rot. Bonds

About 2-oxatricyclo[3.3.1.13,7]decan-5-ol

2-oxatricyclo[3.3.1.13,7]decan-5-ol (PubChem CID 59053799) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-oxatricyclo[3.3.1.13,7]decan-5-ol.

Molecular Properties

Compound Name2-oxatricyclo[3.3.1.13,7]decan-5-ol
PubChem CID59053799
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2-oxatricyclo[3.3.1.13,7]decan-5-ol
SMILESOC12CC3CC(C1)OC(C3)C2
InChIInChI=1S/C9H14O2/c10-9-3-6-1-7(4-9)11-8(2-6)5-9/h6-8,10H,1-5H2
InChIKeyNYNSDHIHRUKTBY-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxatricyclo[3.3.1.13,7]decan-5-ol?
The IUPAC name of 2-oxatricyclo[3.3.1.13,7]decan-5-ol (CID 59053799) is 2-oxatricyclo[3.3.1.13,7]decan-5-ol.
What is the SMILES notation for 2-oxatricyclo[3.3.1.13,7]decan-5-ol?
The canonical SMILES for 2-oxatricyclo[3.3.1.13,7]decan-5-ol is OC12CC3CC(C1)OC(C3)C2.
What is the InChIKey of 2-oxatricyclo[3.3.1.13,7]decan-5-ol?
The InChIKey is NYNSDHIHRUKTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c10-9-3-6-1-7(4-9)11-8(2-6)5-9/h6-8,10H,1-5H2.
What are the key properties of 2-oxatricyclo[3.3.1.13,7]decan-5-ol?
2-oxatricyclo[3.3.1.13,7]decan-5-ol has a molecular weight of 154.21 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxatricyclo[3.3.1.13,7]decan-5-ol is sourced from PubChem (CID 59053799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).