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

C12H18O2 — CID 75041661

IUPAC(6-methyl-8-oxatricyclo[5.2.2.01,6]undec-2-en-2-yl)methanol
SMILESCC12CCC=C(CO)C13CCC2OC3
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
InChIKeyNQSNUWBVTYFOHK-UHFFFAOYSA-N
MW194.27 g/mol
LogP1.88
Rot. Bonds1

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

(6-methyl-8-oxatricyclo[5.2.2.01,6]undec-2-en-2-yl)methanol (PubChem CID 75041661) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (6-methyl-8-oxatricyclo[5.2.2.01,6]undec-2-en-2-yl)methanol.

Molecular Properties

Compound Name(6-methyl-8-oxatricyclo[5.2.2.01,6]undec-2-en-2-yl)methanol
PubChem CID75041661
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(6-methyl-8-oxatricyclo[5.2.2.01,6]undec-2-en-2-yl)methanol
SMILESCC12CCC=C(CO)C13CCC2OC3
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
InChIKeyNQSNUWBVTYFOHK-UHFFFAOYSA-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 (6-methyl-8-oxatricyclo[5.2.2.01,6]undec-2-en-2-yl)methanol?
The IUPAC name of (6-methyl-8-oxatricyclo[5.2.2.01,6]undec-2-en-2-yl)methanol (CID 75041661) is (6-methyl-8-oxatricyclo[5.2.2.01,6]undec-2-en-2-yl)methanol.
What is the SMILES notation for (6-methyl-8-oxatricyclo[5.2.2.01,6]undec-2-en-2-yl)methanol?
The canonical SMILES for (6-methyl-8-oxatricyclo[5.2.2.01,6]undec-2-en-2-yl)methanol is CC12CCC=C(CO)C13CCC2OC3.
What is the InChIKey of (6-methyl-8-oxatricyclo[5.2.2.01,6]undec-2-en-2-yl)methanol?
The InChIKey is NQSNUWBVTYFOHK-UHFFFAOYSA-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.
What are the key properties of (6-methyl-8-oxatricyclo[5.2.2.01,6]undec-2-en-2-yl)methanol?
(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 (6-methyl-8-oxatricyclo[5.2.2.01,6]undec-2-en-2-yl)methanol is sourced from PubChem (CID 75041661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).