[(1S,6S,7S)-6-methyl-8-oxatricyclo[5.2.2.01,6]undec-2-en-2-yl]methanol

C12H18O2 — CID 44521741

IUPAC[(1S,6S,7S)-6-methyl-8-oxatricyclo[5.2.2.01,6]undec-2-en-2-yl]methanol
SMILESC[C@]12CCC=C(CO)[C@@]13CC[C@@H]2OC3
InChIInChI=1S/C12H18O2/c1-11-5-2-3-9(7-13)12(11)6-4-10(11)14-8-12/h3,10,13H,2,4-8H2,1H3/t10-,11+,12-/m0/s1
InChIKeyNQSNUWBVTYFOHK-TUAOUCFPSA-N
MW194.27 g/mol
LogP1.88
Rot. Bonds1

About [(1S,6S,7S)-6-methyl-8-oxatricyclo[5.2.2.01,6]undec-2-en-2-yl]methanol

[(1S,6S,7S)-6-methyl-8-oxatricyclo[5.2.2.01,6]undec-2-en-2-yl]methanol (PubChem CID 44521741) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is [(1S,6S,7S)-6-methyl-8-oxatricyclo[5.2.2.01,6]undec-2-en-2-yl]methanol.

Molecular Properties

Compound Name[(1S,6S,7S)-6-methyl-8-oxatricyclo[5.2.2.01,6]undec-2-en-2-yl]methanol
PubChem CID44521741
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name[(1S,6S,7S)-6-methyl-8-oxatricyclo[5.2.2.01,6]undec-2-en-2-yl]methanol
SMILESC[C@]12CCC=C(CO)[C@@]13CC[C@@H]2OC3
InChIInChI=1S/C12H18O2/c1-11-5-2-3-9(7-13)12(11)6-4-10(11)14-8-12/h3,10,13H,2,4-8H2,1H3/t10-,11+,12-/m0/s1
InChIKeyNQSNUWBVTYFOHK-TUAOUCFPSA-N
XLogP1.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 51.88
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 [(1S,6S,7S)-6-methyl-8-oxatricyclo[5.2.2.01,6]undec-2-en-2-yl]methanol?
The IUPAC name of [(1S,6S,7S)-6-methyl-8-oxatricyclo[5.2.2.01,6]undec-2-en-2-yl]methanol (CID 44521741) is [(1S,6S,7S)-6-methyl-8-oxatricyclo[5.2.2.01,6]undec-2-en-2-yl]methanol.
What is the SMILES notation for [(1S,6S,7S)-6-methyl-8-oxatricyclo[5.2.2.01,6]undec-2-en-2-yl]methanol?
The canonical SMILES for [(1S,6S,7S)-6-methyl-8-oxatricyclo[5.2.2.01,6]undec-2-en-2-yl]methanol is C[C@]12CCC=C(CO)[C@@]13CC[C@@H]2OC3.
What is the InChIKey of [(1S,6S,7S)-6-methyl-8-oxatricyclo[5.2.2.01,6]undec-2-en-2-yl]methanol?
The InChIKey is NQSNUWBVTYFOHK-TUAOUCFPSA-N. The full InChI is InChI=1S/C12H18O2/c1-11-5-2-3-9(7-13)12(11)6-4-10(11)14-8-12/h3,10,13H,2,4-8H2,1H3/t10-,11+,12-/m0/s1.
What are the key properties of [(1S,6S,7S)-6-methyl-8-oxatricyclo[5.2.2.01,6]undec-2-en-2-yl]methanol?
[(1S,6S,7S)-6-methyl-8-oxatricyclo[5.2.2.01,6]undec-2-en-2-yl]methanol has a molecular weight of 194.27 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,6S,7S)-6-methyl-8-oxatricyclo[5.2.2.01,6]undec-2-en-2-yl]methanol is sourced from PubChem (CID 44521741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).