2-hydroxy-4-oxatetracyclo[6.3.1.03,10.06,10]dodecan-5-one

C11H14O3 — CID 153141936

IUPAC2-hydroxy-4-oxatetracyclo[6.3.1.03,10.06,10]dodecan-5-one
SMILESO=C1OC2C(O)C3CC4CC1C2(C4)C3
InChIInChI=1S/C11H14O3/c12-8-6-1-5-2-7-10(13)14-9(8)11(7,3-5)4-6/h5-9,12H,1-4H2
InChIKeyVYUDLSXPSHBKGJ-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.71
Rot. Bonds

About 2-hydroxy-4-oxatetracyclo[6.3.1.03,10.06,10]dodecan-5-one

2-hydroxy-4-oxatetracyclo[6.3.1.03,10.06,10]dodecan-5-one (PubChem CID 153141936) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-hydroxy-4-oxatetracyclo[6.3.1.03,10.06,10]dodecan-5-one.

Molecular Properties

Compound Name2-hydroxy-4-oxatetracyclo[6.3.1.03,10.06,10]dodecan-5-one
PubChem CID153141936
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-hydroxy-4-oxatetracyclo[6.3.1.03,10.06,10]dodecan-5-one
SMILESO=C1OC2C(O)C3CC4CC1C2(C4)C3
InChIInChI=1S/C11H14O3/c12-8-6-1-5-2-7-10(13)14-9(8)11(7,3-5)4-6/h5-9,12H,1-4H2
InChIKeyVYUDLSXPSHBKGJ-UHFFFAOYSA-N
XLogP0.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-oxatetracyclo[6.3.1.03,10.06,10]dodecan-5-one?
The IUPAC name of 2-hydroxy-4-oxatetracyclo[6.3.1.03,10.06,10]dodecan-5-one (CID 153141936) is 2-hydroxy-4-oxatetracyclo[6.3.1.03,10.06,10]dodecan-5-one.
What is the SMILES notation for 2-hydroxy-4-oxatetracyclo[6.3.1.03,10.06,10]dodecan-5-one?
The canonical SMILES for 2-hydroxy-4-oxatetracyclo[6.3.1.03,10.06,10]dodecan-5-one is O=C1OC2C(O)C3CC4CC1C2(C4)C3.
What is the InChIKey of 2-hydroxy-4-oxatetracyclo[6.3.1.03,10.06,10]dodecan-5-one?
The InChIKey is VYUDLSXPSHBKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c12-8-6-1-5-2-7-10(13)14-9(8)11(7,3-5)4-6/h5-9,12H,1-4H2.
What are the key properties of 2-hydroxy-4-oxatetracyclo[6.3.1.03,10.06,10]dodecan-5-one?
2-hydroxy-4-oxatetracyclo[6.3.1.03,10.06,10]dodecan-5-one has a molecular weight of 194.23 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-oxatetracyclo[6.3.1.03,10.06,10]dodecan-5-one is sourced from PubChem (CID 153141936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).