(1R,2R,5S,6S)-6-(hydroxymethyl)-2-methyl-6-prop-2-enylbicyclo[3.1.1]heptan-2-ol

C12H20O2 — CID 11851344

IUPAC(1R,2R,5S,6S)-6-(hydroxymethyl)-2-methyl-6-prop-2-enylbicyclo[3.1.1]heptan-2-ol
SMILESC=CC[C@]1(CO)[C@H]2CC[C@@](C)(O)[C@@H]1C2
InChIInChI=1S/C12H20O2/c1-3-5-12(8-13)9-4-6-11(2,14)10(12)7-9/h3,9-10,13-14H,1,4-8H2,2H3/t9-,10-,11+,12-/m0/s1
InChIKeyOQGOZSLRKCUVNN-YFKTTZPYSA-N
MW196.29 g/mol
LogP1.72
Rot. Bonds3

About (1R,2R,5S,6S)-6-(hydroxymethyl)-2-methyl-6-prop-2-enylbicyclo[3.1.1]heptan-2-ol

(1R,2R,5S,6S)-6-(hydroxymethyl)-2-methyl-6-prop-2-enylbicyclo[3.1.1]heptan-2-ol (PubChem CID 11851344) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (1R,2R,5S,6S)-6-(hydroxymethyl)-2-methyl-6-prop-2-enylbicyclo[3.1.1]heptan-2-ol.

Molecular Properties

Compound Name(1R,2R,5S,6S)-6-(hydroxymethyl)-2-methyl-6-prop-2-enylbicyclo[3.1.1]heptan-2-ol
PubChem CID11851344
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(1R,2R,5S,6S)-6-(hydroxymethyl)-2-methyl-6-prop-2-enylbicyclo[3.1.1]heptan-2-ol
SMILESC=CC[C@]1(CO)[C@H]2CC[C@@](C)(O)[C@@H]1C2
InChIInChI=1S/C12H20O2/c1-3-5-12(8-13)9-4-6-11(2,14)10(12)7-9/h3,9-10,13-14H,1,4-8H2,2H3/t9-,10-,11+,12-/m0/s1
InChIKeyOQGOZSLRKCUVNN-YFKTTZPYSA-N
XLogP1.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S,6S)-6-(hydroxymethyl)-2-methyl-6-prop-2-enylbicyclo[3.1.1]heptan-2-ol?
The IUPAC name of (1R,2R,5S,6S)-6-(hydroxymethyl)-2-methyl-6-prop-2-enylbicyclo[3.1.1]heptan-2-ol (CID 11851344) is (1R,2R,5S,6S)-6-(hydroxymethyl)-2-methyl-6-prop-2-enylbicyclo[3.1.1]heptan-2-ol.
What is the SMILES notation for (1R,2R,5S,6S)-6-(hydroxymethyl)-2-methyl-6-prop-2-enylbicyclo[3.1.1]heptan-2-ol?
The canonical SMILES for (1R,2R,5S,6S)-6-(hydroxymethyl)-2-methyl-6-prop-2-enylbicyclo[3.1.1]heptan-2-ol is C=CC[C@]1(CO)[C@H]2CC[C@@](C)(O)[C@@H]1C2.
What is the InChIKey of (1R,2R,5S,6S)-6-(hydroxymethyl)-2-methyl-6-prop-2-enylbicyclo[3.1.1]heptan-2-ol?
The InChIKey is OQGOZSLRKCUVNN-YFKTTZPYSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-5-12(8-13)9-4-6-11(2,14)10(12)7-9/h3,9-10,13-14H,1,4-8H2,2H3/t9-,10-,11+,12-/m0/s1.
What are the key properties of (1R,2R,5S,6S)-6-(hydroxymethyl)-2-methyl-6-prop-2-enylbicyclo[3.1.1]heptan-2-ol?
(1R,2R,5S,6S)-6-(hydroxymethyl)-2-methyl-6-prop-2-enylbicyclo[3.1.1]heptan-2-ol has a molecular weight of 196.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S,6S)-6-(hydroxymethyl)-2-methyl-6-prop-2-enylbicyclo[3.1.1]heptan-2-ol is sourced from PubChem (CID 11851344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).