(9-hydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate

C15H24O3 — CID 21344451

IUPAC(9-hydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate
SMILESCCC(C)C(=O)OC1C(O)C2CC1C1CCCC21
InChIInChI=1S/C15H24O3/c1-3-8(2)15(17)18-14-12-7-11(13(14)16)9-5-4-6-10(9)12/h8-14,16H,3-7H2,1-2H3
InChIKeyREMCKHRGNITQHH-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.37
Rot. Bonds3

About (9-hydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate

(9-hydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate (PubChem CID 21344451) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (9-hydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate.

Molecular Properties

Compound Name(9-hydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate
PubChem CID21344451
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(9-hydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate
SMILESCCC(C)C(=O)OC1C(O)C2CC1C1CCCC21
InChIInChI=1S/C15H24O3/c1-3-8(2)15(17)18-14-12-7-11(13(14)16)9-5-4-6-10(9)12/h8-14,16H,3-7H2,1-2H3
InChIKeyREMCKHRGNITQHH-UHFFFAOYSA-N
XLogP2.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (9-hydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate?
The IUPAC name of (9-hydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate (CID 21344451) is (9-hydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate.
What is the SMILES notation for (9-hydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate?
The canonical SMILES for (9-hydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate is CCC(C)C(=O)OC1C(O)C2CC1C1CCCC21.
What is the InChIKey of (9-hydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate?
The InChIKey is REMCKHRGNITQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-3-8(2)15(17)18-14-12-7-11(13(14)16)9-5-4-6-10(9)12/h8-14,16H,3-7H2,1-2H3.
What are the key properties of (9-hydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate?
(9-hydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate has a molecular weight of 252.35 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-hydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate is sourced from PubChem (CID 21344451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).