11-methyl-9-oxahexacyclo[12.3.1.01,3.04,16.08,16.010,15]octadeca-5,10,12,14-tetraen-7-ol

C18H18O2 — CID 91319104

IUPAC11-methyl-9-oxahexacyclo[12.3.1.01,3.04,16.08,16.010,15]octadeca-5,10,12,14-tetraen-7-ol
SMILESCc1ccc2c3c1OC1C(O)C=CC4C5CC5(C2)CC341
InChIInChI=1S/C18H18O2/c1-9-2-3-10-6-17-7-12(17)11-4-5-13(19)16-18(11,8-17)14(10)15(9)20-16/h2-5,11-13,16,19H,6-8H2,1H3
InChIKeyWJXGDMQSSQJVIZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.51
Rot. Bonds

About 11-methyl-9-oxahexacyclo[12.3.1.01,3.04,16.08,16.010,15]octadeca-5,10,12,14-tetraen-7-ol

11-methyl-9-oxahexacyclo[12.3.1.01,3.04,16.08,16.010,15]octadeca-5,10,12,14-tetraen-7-ol (PubChem CID 91319104) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 11-methyl-9-oxahexacyclo[12.3.1.01,3.04,16.08,16.010,15]octadeca-5,10,12,14-tetraen-7-ol.

Molecular Properties

Compound Name11-methyl-9-oxahexacyclo[12.3.1.01,3.04,16.08,16.010,15]octadeca-5,10,12,14-tetraen-7-ol
PubChem CID91319104
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name11-methyl-9-oxahexacyclo[12.3.1.01,3.04,16.08,16.010,15]octadeca-5,10,12,14-tetraen-7-ol
SMILESCc1ccc2c3c1OC1C(O)C=CC4C5CC5(C2)CC341
InChIInChI=1S/C18H18O2/c1-9-2-3-10-6-17-7-12(17)11-4-5-13(19)16-18(11,8-17)14(10)15(9)20-16/h2-5,11-13,16,19H,6-8H2,1H3
InChIKeyWJXGDMQSSQJVIZ-UHFFFAOYSA-N
XLogP2.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.51
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 11-methyl-9-oxahexacyclo[12.3.1.01,3.04,16.08,16.010,15]octadeca-5,10,12,14-tetraen-7-ol?
The IUPAC name of 11-methyl-9-oxahexacyclo[12.3.1.01,3.04,16.08,16.010,15]octadeca-5,10,12,14-tetraen-7-ol (CID 91319104) is 11-methyl-9-oxahexacyclo[12.3.1.01,3.04,16.08,16.010,15]octadeca-5,10,12,14-tetraen-7-ol.
What is the SMILES notation for 11-methyl-9-oxahexacyclo[12.3.1.01,3.04,16.08,16.010,15]octadeca-5,10,12,14-tetraen-7-ol?
The canonical SMILES for 11-methyl-9-oxahexacyclo[12.3.1.01,3.04,16.08,16.010,15]octadeca-5,10,12,14-tetraen-7-ol is Cc1ccc2c3c1OC1C(O)C=CC4C5CC5(C2)CC341.
What is the InChIKey of 11-methyl-9-oxahexacyclo[12.3.1.01,3.04,16.08,16.010,15]octadeca-5,10,12,14-tetraen-7-ol?
The InChIKey is WJXGDMQSSQJVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-9-2-3-10-6-17-7-12(17)11-4-5-13(19)16-18(11,8-17)14(10)15(9)20-16/h2-5,11-13,16,19H,6-8H2,1H3.
What are the key properties of 11-methyl-9-oxahexacyclo[12.3.1.01,3.04,16.08,16.010,15]octadeca-5,10,12,14-tetraen-7-ol?
11-methyl-9-oxahexacyclo[12.3.1.01,3.04,16.08,16.010,15]octadeca-5,10,12,14-tetraen-7-ol has a molecular weight of 266.34 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-9-oxahexacyclo[12.3.1.01,3.04,16.08,16.010,15]octadeca-5,10,12,14-tetraen-7-ol is sourced from PubChem (CID 91319104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).