[(1R,4S,7R,8S,10S)-8-methyl-5-oxatricyclo[5.2.1.04,8]decan-10-yl]methanol

C11H18O2 — CID 10679009

IUPAC[(1R,4S,7R,8S,10S)-8-methyl-5-oxatricyclo[5.2.1.04,8]decan-10-yl]methanol
SMILESC[C@@]12C[C@H]3CC[C@@H]1OC[C@@H]2[C@H]3CO
InChIInChI=1S/C11H18O2/c1-11-4-7-2-3-10(11)13-6-9(11)8(7)5-12/h7-10,12H,2-6H2,1H3/t7-,8+,9-,10+,11+/m1/s1
InChIKeyIVGLLVGUFXDQED-XXFSISAASA-N
MW182.26 g/mol
LogP1.43
Rot. Bonds1

About [(1R,4S,7R,8S,10S)-8-methyl-5-oxatricyclo[5.2.1.04,8]decan-10-yl]methanol

[(1R,4S,7R,8S,10S)-8-methyl-5-oxatricyclo[5.2.1.04,8]decan-10-yl]methanol (PubChem CID 10679009) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is [(1R,4S,7R,8S,10S)-8-methyl-5-oxatricyclo[5.2.1.04,8]decan-10-yl]methanol.

Molecular Properties

Compound Name[(1R,4S,7R,8S,10S)-8-methyl-5-oxatricyclo[5.2.1.04,8]decan-10-yl]methanol
PubChem CID10679009
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name[(1R,4S,7R,8S,10S)-8-methyl-5-oxatricyclo[5.2.1.04,8]decan-10-yl]methanol
SMILESC[C@@]12C[C@H]3CC[C@@H]1OC[C@@H]2[C@H]3CO
InChIInChI=1S/C11H18O2/c1-11-4-7-2-3-10(11)13-6-9(11)8(7)5-12/h7-10,12H,2-6H2,1H3/t7-,8+,9-,10+,11+/m1/s1
InChIKeyIVGLLVGUFXDQED-XXFSISAASA-N
XLogP1.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,4S,7R,8S,10S)-8-methyl-5-oxatricyclo[5.2.1.04,8]decan-10-yl]methanol?
The IUPAC name of [(1R,4S,7R,8S,10S)-8-methyl-5-oxatricyclo[5.2.1.04,8]decan-10-yl]methanol (CID 10679009) is [(1R,4S,7R,8S,10S)-8-methyl-5-oxatricyclo[5.2.1.04,8]decan-10-yl]methanol.
What is the SMILES notation for [(1R,4S,7R,8S,10S)-8-methyl-5-oxatricyclo[5.2.1.04,8]decan-10-yl]methanol?
The canonical SMILES for [(1R,4S,7R,8S,10S)-8-methyl-5-oxatricyclo[5.2.1.04,8]decan-10-yl]methanol is C[C@@]12C[C@H]3CC[C@@H]1OC[C@@H]2[C@H]3CO.
What is the InChIKey of [(1R,4S,7R,8S,10S)-8-methyl-5-oxatricyclo[5.2.1.04,8]decan-10-yl]methanol?
The InChIKey is IVGLLVGUFXDQED-XXFSISAASA-N. The full InChI is InChI=1S/C11H18O2/c1-11-4-7-2-3-10(11)13-6-9(11)8(7)5-12/h7-10,12H,2-6H2,1H3/t7-,8+,9-,10+,11+/m1/s1.
What are the key properties of [(1R,4S,7R,8S,10S)-8-methyl-5-oxatricyclo[5.2.1.04,8]decan-10-yl]methanol?
[(1R,4S,7R,8S,10S)-8-methyl-5-oxatricyclo[5.2.1.04,8]decan-10-yl]methanol has a molecular weight of 182.26 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S,7R,8S,10S)-8-methyl-5-oxatricyclo[5.2.1.04,8]decan-10-yl]methanol is sourced from PubChem (CID 10679009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).