(1S,2S,4R,5R)-8-(hydroxymethyl)-3,3-dimethyltricyclo[3.2.1.02,4]octan-8-ol

C11H18O2 — CID 102328718

IUPAC(1S,2S,4R,5R)-8-(hydroxymethyl)-3,3-dimethyltricyclo[3.2.1.02,4]octan-8-ol
SMILESCC1(C)[C@@H]2[C@H]1[C@@H]1CC[C@H]2C1(O)CO
InChIInChI=1S/C11H18O2/c1-10(2)8-6-3-4-7(9(8)10)11(6,13)5-12/h6-9,12-13H,3-5H2,1-2H3/t6-,7+,8+,9-,11?
InChIKeyLMEQQESGONELMF-QVGQLTPFSA-N
MW182.26 g/mol
LogP1.02
Rot. Bonds1

About (1S,2S,4R,5R)-8-(hydroxymethyl)-3,3-dimethyltricyclo[3.2.1.02,4]octan-8-ol

(1S,2S,4R,5R)-8-(hydroxymethyl)-3,3-dimethyltricyclo[3.2.1.02,4]octan-8-ol (PubChem CID 102328718) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (1S,2S,4R,5R)-8-(hydroxymethyl)-3,3-dimethyltricyclo[3.2.1.02,4]octan-8-ol.

Molecular Properties

Compound Name(1S,2S,4R,5R)-8-(hydroxymethyl)-3,3-dimethyltricyclo[3.2.1.02,4]octan-8-ol
PubChem CID102328718
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(1S,2S,4R,5R)-8-(hydroxymethyl)-3,3-dimethyltricyclo[3.2.1.02,4]octan-8-ol
SMILESCC1(C)[C@@H]2[C@H]1[C@@H]1CC[C@H]2C1(O)CO
InChIInChI=1S/C11H18O2/c1-10(2)8-6-3-4-7(9(8)10)11(6,13)5-12/h6-9,12-13H,3-5H2,1-2H3/t6-,7+,8+,9-,11?
InChIKeyLMEQQESGONELMF-QVGQLTPFSA-N
XLogP1.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,2S,4R,5R)-8-(hydroxymethyl)-3,3-dimethyltricyclo[3.2.1.02,4]octan-8-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R,5R)-8-(hydroxymethyl)-3,3-dimethyltricyclo[3.2.1.02,4]octan-8-ol?
The IUPAC name of (1S,2S,4R,5R)-8-(hydroxymethyl)-3,3-dimethyltricyclo[3.2.1.02,4]octan-8-ol (CID 102328718) is (1S,2S,4R,5R)-8-(hydroxymethyl)-3,3-dimethyltricyclo[3.2.1.02,4]octan-8-ol.
What is the SMILES notation for (1S,2S,4R,5R)-8-(hydroxymethyl)-3,3-dimethyltricyclo[3.2.1.02,4]octan-8-ol?
The canonical SMILES for (1S,2S,4R,5R)-8-(hydroxymethyl)-3,3-dimethyltricyclo[3.2.1.02,4]octan-8-ol is CC1(C)[C@@H]2[C@H]1[C@@H]1CC[C@H]2C1(O)CO.
What is the InChIKey of (1S,2S,4R,5R)-8-(hydroxymethyl)-3,3-dimethyltricyclo[3.2.1.02,4]octan-8-ol?
The InChIKey is LMEQQESGONELMF-QVGQLTPFSA-N. The full InChI is InChI=1S/C11H18O2/c1-10(2)8-6-3-4-7(9(8)10)11(6,13)5-12/h6-9,12-13H,3-5H2,1-2H3/t6-,7+,8+,9-,11?.
What are the key properties of (1S,2S,4R,5R)-8-(hydroxymethyl)-3,3-dimethyltricyclo[3.2.1.02,4]octan-8-ol?
(1S,2S,4R,5R)-8-(hydroxymethyl)-3,3-dimethyltricyclo[3.2.1.02,4]octan-8-ol has a molecular weight of 182.26 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R,5R)-8-(hydroxymethyl)-3,3-dimethyltricyclo[3.2.1.02,4]octan-8-ol is sourced from PubChem (CID 102328718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).