7-hydroxy-5-(hydroxymethyl)-6-methyl-11-propan-2-yl-9-oxatricyclo[6.2.1.02,6]undecan-10-one

C15H24O4 — CID 73083911

IUPAC7-hydroxy-5-(hydroxymethyl)-6-methyl-11-propan-2-yl-9-oxatricyclo[6.2.1.02,6]undecan-10-one
SMILESCC(C)C1C2OC(=O)C1C1CCC(CO)C1(C)C2O
InChIInChI=1S/C15H24O4/c1-7(2)10-11-9-5-4-8(6-16)15(9,3)13(17)12(10)19-14(11)18/h7-13,16-17H,4-6H2,1-3H3
InChIKeyVMNWIBLINPXRPX-UHFFFAOYSA-N
MW268.35 g/mol
LogP1.20
Rot. Bonds2

About 7-hydroxy-5-(hydroxymethyl)-6-methyl-11-propan-2-yl-9-oxatricyclo[6.2.1.02,6]undecan-10-one

7-hydroxy-5-(hydroxymethyl)-6-methyl-11-propan-2-yl-9-oxatricyclo[6.2.1.02,6]undecan-10-one (PubChem CID 73083911) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 7-hydroxy-5-(hydroxymethyl)-6-methyl-11-propan-2-yl-9-oxatricyclo[6.2.1.02,6]undecan-10-one.

Molecular Properties

Compound Name7-hydroxy-5-(hydroxymethyl)-6-methyl-11-propan-2-yl-9-oxatricyclo[6.2.1.02,6]undecan-10-one
PubChem CID73083911
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name7-hydroxy-5-(hydroxymethyl)-6-methyl-11-propan-2-yl-9-oxatricyclo[6.2.1.02,6]undecan-10-one
SMILESCC(C)C1C2OC(=O)C1C1CCC(CO)C1(C)C2O
InChIInChI=1S/C15H24O4/c1-7(2)10-11-9-5-4-8(6-16)15(9,3)13(17)12(10)19-14(11)18/h7-13,16-17H,4-6H2,1-3H3
InChIKeyVMNWIBLINPXRPX-UHFFFAOYSA-N
XLogP1.20
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-5-(hydroxymethyl)-6-methyl-11-propan-2-yl-9-oxatricyclo[6.2.1.02,6]undecan-10-one?
The IUPAC name of 7-hydroxy-5-(hydroxymethyl)-6-methyl-11-propan-2-yl-9-oxatricyclo[6.2.1.02,6]undecan-10-one (CID 73083911) is 7-hydroxy-5-(hydroxymethyl)-6-methyl-11-propan-2-yl-9-oxatricyclo[6.2.1.02,6]undecan-10-one.
What is the SMILES notation for 7-hydroxy-5-(hydroxymethyl)-6-methyl-11-propan-2-yl-9-oxatricyclo[6.2.1.02,6]undecan-10-one?
The canonical SMILES for 7-hydroxy-5-(hydroxymethyl)-6-methyl-11-propan-2-yl-9-oxatricyclo[6.2.1.02,6]undecan-10-one is CC(C)C1C2OC(=O)C1C1CCC(CO)C1(C)C2O.
What is the InChIKey of 7-hydroxy-5-(hydroxymethyl)-6-methyl-11-propan-2-yl-9-oxatricyclo[6.2.1.02,6]undecan-10-one?
The InChIKey is VMNWIBLINPXRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-7(2)10-11-9-5-4-8(6-16)15(9,3)13(17)12(10)19-14(11)18/h7-13,16-17H,4-6H2,1-3H3.
What are the key properties of 7-hydroxy-5-(hydroxymethyl)-6-methyl-11-propan-2-yl-9-oxatricyclo[6.2.1.02,6]undecan-10-one?
7-hydroxy-5-(hydroxymethyl)-6-methyl-11-propan-2-yl-9-oxatricyclo[6.2.1.02,6]undecan-10-one has a molecular weight of 268.35 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-5-(hydroxymethyl)-6-methyl-11-propan-2-yl-9-oxatricyclo[6.2.1.02,6]undecan-10-one is sourced from PubChem (CID 73083911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).