10-hydroxy-1,2,5,7,9-pentamethyl-3,11,12-trioxatricyclo[5.3.1.12,6]dodecan-4-one

C14H22O5 — CID 15199888

IUPAC10-hydroxy-1,2,5,7,9-pentamethyl-3,11,12-trioxatricyclo[5.3.1.12,6]dodecan-4-one
SMILESCC1CC2(C)OC(C)(C1O)C1(C)OC(=O)C(C)C2O1
InChIInChI=1S/C14H22O5/c1-7-6-12(3)10-8(2)11(16)18-14(5,17-10)13(4,19-12)9(7)15/h7-10,15H,6H2,1-5H3
InChIKeyAMZPOLFWIKSMLX-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.23
Rot. Bonds

About 10-hydroxy-1,2,5,7,9-pentamethyl-3,11,12-trioxatricyclo[5.3.1.12,6]dodecan-4-one

10-hydroxy-1,2,5,7,9-pentamethyl-3,11,12-trioxatricyclo[5.3.1.12,6]dodecan-4-one (PubChem CID 15199888) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is 10-hydroxy-1,2,5,7,9-pentamethyl-3,11,12-trioxatricyclo[5.3.1.12,6]dodecan-4-one.

Molecular Properties

Compound Name10-hydroxy-1,2,5,7,9-pentamethyl-3,11,12-trioxatricyclo[5.3.1.12,6]dodecan-4-one
PubChem CID15199888
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name10-hydroxy-1,2,5,7,9-pentamethyl-3,11,12-trioxatricyclo[5.3.1.12,6]dodecan-4-one
SMILESCC1CC2(C)OC(C)(C1O)C1(C)OC(=O)C(C)C2O1
InChIInChI=1S/C14H22O5/c1-7-6-12(3)10-8(2)11(16)18-14(5,17-10)13(4,19-12)9(7)15/h7-10,15H,6H2,1-5H3
InChIKeyAMZPOLFWIKSMLX-UHFFFAOYSA-N
XLogP1.23
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-hydroxy-1,2,5,7,9-pentamethyl-3,11,12-trioxatricyclo[5.3.1.12,6]dodecan-4-one?
The IUPAC name of 10-hydroxy-1,2,5,7,9-pentamethyl-3,11,12-trioxatricyclo[5.3.1.12,6]dodecan-4-one (CID 15199888) is 10-hydroxy-1,2,5,7,9-pentamethyl-3,11,12-trioxatricyclo[5.3.1.12,6]dodecan-4-one.
What is the SMILES notation for 10-hydroxy-1,2,5,7,9-pentamethyl-3,11,12-trioxatricyclo[5.3.1.12,6]dodecan-4-one?
The canonical SMILES for 10-hydroxy-1,2,5,7,9-pentamethyl-3,11,12-trioxatricyclo[5.3.1.12,6]dodecan-4-one is CC1CC2(C)OC(C)(C1O)C1(C)OC(=O)C(C)C2O1.
What is the InChIKey of 10-hydroxy-1,2,5,7,9-pentamethyl-3,11,12-trioxatricyclo[5.3.1.12,6]dodecan-4-one?
The InChIKey is AMZPOLFWIKSMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5/c1-7-6-12(3)10-8(2)11(16)18-14(5,17-10)13(4,19-12)9(7)15/h7-10,15H,6H2,1-5H3.
What are the key properties of 10-hydroxy-1,2,5,7,9-pentamethyl-3,11,12-trioxatricyclo[5.3.1.12,6]dodecan-4-one?
10-hydroxy-1,2,5,7,9-pentamethyl-3,11,12-trioxatricyclo[5.3.1.12,6]dodecan-4-one has a molecular weight of 270.32 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-1,2,5,7,9-pentamethyl-3,11,12-trioxatricyclo[5.3.1.12,6]dodecan-4-one is sourced from PubChem (CID 15199888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).