[(1R,2S,4S,7S)-7-methoxy-5,5-dimethyl-6-methylidene-2-bicyclo[2.2.1]heptanyl]methanol

C12H20O2 — CID 162836477

IUPAC[(1R,2S,4S,7S)-7-methoxy-5,5-dimethyl-6-methylidene-2-bicyclo[2.2.1]heptanyl]methanol
SMILESC=C1[C@H]2[C@@H](CO)C[C@H]([C@@H]2OC)C1(C)C
InChIInChI=1S/C12H20O2/c1-7-10-8(6-13)5-9(11(10)14-4)12(7,2)3/h8-11,13H,1,5-6H2,2-4H3/t8-,9-,10+,11+/m1/s1
InChIKeyUZFSQUKFFLHMMM-ZNSHCXBVSA-N
MW196.29 g/mol
LogP1.84
Rot. Bonds2

About [(1R,2S,4S,7S)-7-methoxy-5,5-dimethyl-6-methylidene-2-bicyclo[2.2.1]heptanyl]methanol

[(1R,2S,4S,7S)-7-methoxy-5,5-dimethyl-6-methylidene-2-bicyclo[2.2.1]heptanyl]methanol (PubChem CID 162836477) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is [(1R,2S,4S,7S)-7-methoxy-5,5-dimethyl-6-methylidene-2-bicyclo[2.2.1]heptanyl]methanol.

Molecular Properties

Compound Name[(1R,2S,4S,7S)-7-methoxy-5,5-dimethyl-6-methylidene-2-bicyclo[2.2.1]heptanyl]methanol
PubChem CID162836477
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name[(1R,2S,4S,7S)-7-methoxy-5,5-dimethyl-6-methylidene-2-bicyclo[2.2.1]heptanyl]methanol
SMILESC=C1[C@H]2[C@@H](CO)C[C@H]([C@@H]2OC)C1(C)C
InChIInChI=1S/C12H20O2/c1-7-10-8(6-13)5-9(11(10)14-4)12(7,2)3/h8-11,13H,1,5-6H2,2-4H3/t8-,9-,10+,11+/m1/s1
InChIKeyUZFSQUKFFLHMMM-ZNSHCXBVSA-N
XLogP1.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
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,2S,4S,7S)-7-methoxy-5,5-dimethyl-6-methylidene-2-bicyclo[2.2.1]heptanyl]methanol?
The IUPAC name of [(1R,2S,4S,7S)-7-methoxy-5,5-dimethyl-6-methylidene-2-bicyclo[2.2.1]heptanyl]methanol (CID 162836477) is [(1R,2S,4S,7S)-7-methoxy-5,5-dimethyl-6-methylidene-2-bicyclo[2.2.1]heptanyl]methanol.
What is the SMILES notation for [(1R,2S,4S,7S)-7-methoxy-5,5-dimethyl-6-methylidene-2-bicyclo[2.2.1]heptanyl]methanol?
The canonical SMILES for [(1R,2S,4S,7S)-7-methoxy-5,5-dimethyl-6-methylidene-2-bicyclo[2.2.1]heptanyl]methanol is C=C1[C@H]2[C@@H](CO)C[C@H]([C@@H]2OC)C1(C)C.
What is the InChIKey of [(1R,2S,4S,7S)-7-methoxy-5,5-dimethyl-6-methylidene-2-bicyclo[2.2.1]heptanyl]methanol?
The InChIKey is UZFSQUKFFLHMMM-ZNSHCXBVSA-N. The full InChI is InChI=1S/C12H20O2/c1-7-10-8(6-13)5-9(11(10)14-4)12(7,2)3/h8-11,13H,1,5-6H2,2-4H3/t8-,9-,10+,11+/m1/s1.
What are the key properties of [(1R,2S,4S,7S)-7-methoxy-5,5-dimethyl-6-methylidene-2-bicyclo[2.2.1]heptanyl]methanol?
[(1R,2S,4S,7S)-7-methoxy-5,5-dimethyl-6-methylidene-2-bicyclo[2.2.1]heptanyl]methanol has a molecular weight of 196.29 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,4S,7S)-7-methoxy-5,5-dimethyl-6-methylidene-2-bicyclo[2.2.1]heptanyl]methanol is sourced from PubChem (CID 162836477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).