3-hydroxy-5-methyl-5-(2-tricyclo[5.2.1.02,6]decanyl)oxolan-2-one

C15H22O3 — CID 18436233

IUPAC3-hydroxy-5-methyl-5-(2-tricyclo[5.2.1.02,6]decanyl)oxolan-2-one
SMILESCC1(C23CCCC2C2CCC3C2)CC(O)C(=O)O1
InChIInChI=1S/C15H22O3/c1-14(8-12(16)13(17)18-14)15-6-2-3-11(15)9-4-5-10(15)7-9/h9-12,16H,2-8H2,1H3
InChIKeyBFFWQKBYZLRRSP-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.27
Rot. Bonds1

About 3-hydroxy-5-methyl-5-(2-tricyclo[5.2.1.02,6]decanyl)oxolan-2-one

3-hydroxy-5-methyl-5-(2-tricyclo[5.2.1.02,6]decanyl)oxolan-2-one (PubChem CID 18436233) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-hydroxy-5-methyl-5-(2-tricyclo[5.2.1.02,6]decanyl)oxolan-2-one.

Molecular Properties

Compound Name3-hydroxy-5-methyl-5-(2-tricyclo[5.2.1.02,6]decanyl)oxolan-2-one
PubChem CID18436233
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name3-hydroxy-5-methyl-5-(2-tricyclo[5.2.1.02,6]decanyl)oxolan-2-one
SMILESCC1(C23CCCC2C2CCC3C2)CC(O)C(=O)O1
InChIInChI=1S/C15H22O3/c1-14(8-12(16)13(17)18-14)15-6-2-3-11(15)9-4-5-10(15)7-9/h9-12,16H,2-8H2,1H3
InChIKeyBFFWQKBYZLRRSP-UHFFFAOYSA-N
XLogP2.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-methyl-5-(2-tricyclo[5.2.1.02,6]decanyl)oxolan-2-one?
The IUPAC name of 3-hydroxy-5-methyl-5-(2-tricyclo[5.2.1.02,6]decanyl)oxolan-2-one (CID 18436233) is 3-hydroxy-5-methyl-5-(2-tricyclo[5.2.1.02,6]decanyl)oxolan-2-one.
What is the SMILES notation for 3-hydroxy-5-methyl-5-(2-tricyclo[5.2.1.02,6]decanyl)oxolan-2-one?
The canonical SMILES for 3-hydroxy-5-methyl-5-(2-tricyclo[5.2.1.02,6]decanyl)oxolan-2-one is CC1(C23CCCC2C2CCC3C2)CC(O)C(=O)O1.
What is the InChIKey of 3-hydroxy-5-methyl-5-(2-tricyclo[5.2.1.02,6]decanyl)oxolan-2-one?
The InChIKey is BFFWQKBYZLRRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-14(8-12(16)13(17)18-14)15-6-2-3-11(15)9-4-5-10(15)7-9/h9-12,16H,2-8H2,1H3.
What are the key properties of 3-hydroxy-5-methyl-5-(2-tricyclo[5.2.1.02,6]decanyl)oxolan-2-one?
3-hydroxy-5-methyl-5-(2-tricyclo[5.2.1.02,6]decanyl)oxolan-2-one has a molecular weight of 250.34 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-methyl-5-(2-tricyclo[5.2.1.02,6]decanyl)oxolan-2-one is sourced from PubChem (CID 18436233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).