6-(hydroxymethyl)-2-methyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecane-6,8-diol

C15H26O4 — CID 11687653

IUPAC6-(hydroxymethyl)-2-methyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecane-6,8-diol
SMILESCC(C)C1CC23OC1(O)CC(O)(CO)C2CCC3C
InChIInChI=1S/C15H26O4/c1-9(2)11-6-14-10(3)4-5-12(14)13(17,8-16)7-15(11,18)19-14/h9-12,16-18H,4-8H2,1-3H3
InChIKeyFPFRFSKXYQFVOZ-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.28
Rot. Bonds2

About 6-(hydroxymethyl)-2-methyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecane-6,8-diol

6-(hydroxymethyl)-2-methyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecane-6,8-diol (PubChem CID 11687653) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is 6-(hydroxymethyl)-2-methyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecane-6,8-diol.

Molecular Properties

Compound Name6-(hydroxymethyl)-2-methyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecane-6,8-diol
PubChem CID11687653
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name6-(hydroxymethyl)-2-methyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecane-6,8-diol
SMILESCC(C)C1CC23OC1(O)CC(O)(CO)C2CCC3C
InChIInChI=1S/C15H26O4/c1-9(2)11-6-14-10(3)4-5-12(14)13(17,8-16)7-15(11,18)19-14/h9-12,16-18H,4-8H2,1-3H3
InChIKeyFPFRFSKXYQFVOZ-UHFFFAOYSA-N
XLogP1.28
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-2-methyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecane-6,8-diol?
The IUPAC name of 6-(hydroxymethyl)-2-methyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecane-6,8-diol (CID 11687653) is 6-(hydroxymethyl)-2-methyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecane-6,8-diol.
What is the SMILES notation for 6-(hydroxymethyl)-2-methyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecane-6,8-diol?
The canonical SMILES for 6-(hydroxymethyl)-2-methyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecane-6,8-diol is CC(C)C1CC23OC1(O)CC(O)(CO)C2CCC3C.
What is the InChIKey of 6-(hydroxymethyl)-2-methyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecane-6,8-diol?
The InChIKey is FPFRFSKXYQFVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-9(2)11-6-14-10(3)4-5-12(14)13(17,8-16)7-15(11,18)19-14/h9-12,16-18H,4-8H2,1-3H3.
What are the key properties of 6-(hydroxymethyl)-2-methyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecane-6,8-diol?
6-(hydroxymethyl)-2-methyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecane-6,8-diol has a molecular weight of 270.37 g/mol, XLogP of 1.28, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-2-methyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecane-6,8-diol is sourced from PubChem (CID 11687653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).