9-oxabicyclo[6.1.0]nonan-1-ylmethanol

C9H16O2 — CID 130147678

IUPAC9-oxabicyclo[6.1.0]nonan-1-ylmethanol
SMILESOCC12CCCCCCC1O2
InChIInChI=1S/C9H16O2/c10-7-9-6-4-2-1-3-5-8(9)11-9/h8,10H,1-7H2
InChIKeyMSAPUSLQXIBMLL-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.47
Rot. Bonds1

About 9-oxabicyclo[6.1.0]nonan-1-ylmethanol

9-oxabicyclo[6.1.0]nonan-1-ylmethanol (PubChem CID 130147678) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 9-oxabicyclo[6.1.0]nonan-1-ylmethanol.

Molecular Properties

Compound Name9-oxabicyclo[6.1.0]nonan-1-ylmethanol
PubChem CID130147678
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name9-oxabicyclo[6.1.0]nonan-1-ylmethanol
SMILESOCC12CCCCCCC1O2
InChIInChI=1S/C9H16O2/c10-7-9-6-4-2-1-3-5-8(9)11-9/h8,10H,1-7H2
InChIKeyMSAPUSLQXIBMLL-UHFFFAOYSA-N
XLogP1.47
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-9-oxabicyclo[6.1.0]nonane
CID 19373802
2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethanol;prop-2-enoic acid
CID 175319838
trihydroxy-[2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane
CID 141140187
1-(oxiran-2-ylmethyl)-7-oxabicyclo[4.1.0]heptane
CID 87186406
2-[(1S,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]acetonitrile
CID 129383574
1-(2-methylpropyl)-7-oxabicyclo[4.1.0]heptane
CID 15441964
1-prop-2-enyl-7-oxabicyclo[4.1.0]heptane
CID 12931506
6-[2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]-7-oxabicyclo[4.1.0]heptane-3-carboxylic acid
CID 150491249
(2-cyclohexyloxolan-2-yl)methanol
CID 130689922
7-oxabicyclo[4.1.0]heptan-1-ylmethyl 2,2-dimethylpropanoate
CID 174909794
2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethyl N-phenylcarbamate
CID 102321130
triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane
CID 19366376

Frequently Asked Questions

What is the IUPAC name of 9-oxabicyclo[6.1.0]nonan-1-ylmethanol?
The IUPAC name of 9-oxabicyclo[6.1.0]nonan-1-ylmethanol (CID 130147678) is 9-oxabicyclo[6.1.0]nonan-1-ylmethanol.
What is the SMILES notation for 9-oxabicyclo[6.1.0]nonan-1-ylmethanol?
The canonical SMILES for 9-oxabicyclo[6.1.0]nonan-1-ylmethanol is OCC12CCCCCCC1O2.
What is the InChIKey of 9-oxabicyclo[6.1.0]nonan-1-ylmethanol?
The InChIKey is MSAPUSLQXIBMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c10-7-9-6-4-2-1-3-5-8(9)11-9/h8,10H,1-7H2.
What are the key properties of 9-oxabicyclo[6.1.0]nonan-1-ylmethanol?
9-oxabicyclo[6.1.0]nonan-1-ylmethanol has a molecular weight of 156.22 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxabicyclo[6.1.0]nonan-1-ylmethanol is sourced from PubChem (CID 130147678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).