(4,5-dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate

C15H24O4 — CID 58927089

IUPAC(4,5-dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate
SMILESCCC(C)C(=O)OC1CC2CC1C1C(O)C(O)CC21
InChIInChI=1S/C15H24O4/c1-3-7(2)15(18)19-12-5-8-4-10(12)13-9(8)6-11(16)14(13)17/h7-14,16-17H,3-6H2,1-2H3
InChIKeyUKEMJJHQSZCMRN-UHFFFAOYSA-N
MW268.35 g/mol
LogP1.34
Rot. Bonds3

About (4,5-dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate

(4,5-dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate (PubChem CID 58927089) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is (4,5-dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate.

Molecular Properties

Compound Name(4,5-dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate
PubChem CID58927089
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name(4,5-dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate
SMILESCCC(C)C(=O)OC1CC2CC1C1C(O)C(O)CC21
InChIInChI=1S/C15H24O4/c1-3-7(2)15(18)19-12-5-8-4-10(12)13-9(8)6-11(16)14(13)17/h7-14,16-17H,3-6H2,1-2H3
InChIKeyUKEMJJHQSZCMRN-UHFFFAOYSA-N
XLogP1.34
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4,5-dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate?
The IUPAC name of (4,5-dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate (CID 58927089) is (4,5-dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate.
What is the SMILES notation for (4,5-dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate?
The canonical SMILES for (4,5-dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate is CCC(C)C(=O)OC1CC2CC1C1C(O)C(O)CC21.
What is the InChIKey of (4,5-dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate?
The InChIKey is UKEMJJHQSZCMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-3-7(2)15(18)19-12-5-8-4-10(12)13-9(8)6-11(16)14(13)17/h7-14,16-17H,3-6H2,1-2H3.
What are the key properties of (4,5-dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate?
(4,5-dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate has a molecular weight of 268.35 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate is sourced from PubChem (CID 58927089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).