2-methoxy-4-oxatricyclo[4.3.0.03,8]nonan-5-one

C9H12O3 — CID 89483849

IUPAC2-methoxy-4-oxatricyclo[4.3.0.03,8]nonan-5-one
SMILESCOC1C2CC3CC2C(=O)OC31
InChIInChI=1S/C9H12O3/c1-11-8-5-2-4-3-6(5)9(10)12-7(4)8/h4-8H,2-3H2,1H3
InChIKeyHWNLWRKJBMGRAY-UHFFFAOYSA-N
MW168.19 g/mol
LogP0.58
Rot. Bonds1

About 2-methoxy-4-oxatricyclo[4.3.0.03,8]nonan-5-one

2-methoxy-4-oxatricyclo[4.3.0.03,8]nonan-5-one (PubChem CID 89483849) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 2-methoxy-4-oxatricyclo[4.3.0.03,8]nonan-5-one.

Molecular Properties

Compound Name2-methoxy-4-oxatricyclo[4.3.0.03,8]nonan-5-one
PubChem CID89483849
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name2-methoxy-4-oxatricyclo[4.3.0.03,8]nonan-5-one
SMILESCOC1C2CC3CC2C(=O)OC31
InChIInChI=1S/C9H12O3/c1-11-8-5-2-4-3-6(5)9(10)12-7(4)8/h4-8H,2-3H2,1H3
InChIKeyHWNLWRKJBMGRAY-UHFFFAOYSA-N
XLogP0.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 3-oxatricyclo(3.2.1.02,4)octane-6-carboxylate
CID 3035278
dimethyl (1R,2R,4S,5R,6S,7R)-3-oxatricyclo[3.2.1.02,4]octane-6,7-dicarboxylate
CID 90679335
2,2-Difluoro-2-[2-[(5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl)oxy]ethoxy]acetic acid
CID 167031680
Butyl 3-oxatricyclo[3.2.1.0~2,4~]octane-6-carboxylate
CID 263192
Dimethyl 3-oxatricyclo[3.2.1.02,4]octane-6,7-dicarboxylate
CID 297150
Methyl 3-oxatricyclo[3.2.1.02,4]octane-6-carboxylate
CID 14169161
trans-5,6-Diacetoxybicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 129748499
Iiqhjfleihbnpc-uolfyfmnsa-
CID 50936948
Iiqhjfleihbnpc-rzunntjfsa-
CID 50936954
Iiqhjfleihbnpc-hnexdwkrsa-
CID 50936997
(9-Acetyloxy-3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) acetate
CID 101631969
(5-Oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) acetate
CID 12618447

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-oxatricyclo[4.3.0.03,8]nonan-5-one?
The IUPAC name of 2-methoxy-4-oxatricyclo[4.3.0.03,8]nonan-5-one (CID 89483849) is 2-methoxy-4-oxatricyclo[4.3.0.03,8]nonan-5-one.
What is the SMILES notation for 2-methoxy-4-oxatricyclo[4.3.0.03,8]nonan-5-one?
The canonical SMILES for 2-methoxy-4-oxatricyclo[4.3.0.03,8]nonan-5-one is COC1C2CC3CC2C(=O)OC31.
What is the InChIKey of 2-methoxy-4-oxatricyclo[4.3.0.03,8]nonan-5-one?
The InChIKey is HWNLWRKJBMGRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-11-8-5-2-4-3-6(5)9(10)12-7(4)8/h4-8H,2-3H2,1H3.
What are the key properties of 2-methoxy-4-oxatricyclo[4.3.0.03,8]nonan-5-one?
2-methoxy-4-oxatricyclo[4.3.0.03,8]nonan-5-one has a molecular weight of 168.19 g/mol, XLogP of 0.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-oxatricyclo[4.3.0.03,8]nonan-5-one is sourced from PubChem (CID 89483849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).