methyl (10Z)-12-hydroxytricyclo[10.4.0.04,9]hexadeca-4,6,8,10-tetraene-2-carboxylate

C18H22O3 — CID 101057364

IUPACmethyl (10Z)-12-hydroxytricyclo[10.4.0.04,9]hexadeca-4,6,8,10-tetraene-2-carboxylate
SMILESCOC(=O)C1Cc2ccccc2/C=C\C2(O)CCCCC12
InChIInChI=1S/C18H22O3/c1-21-17(19)15-12-14-7-3-2-6-13(14)9-11-18(20)10-5-4-8-16(15)18/h2-3,6-7,9,11,15-16,20H,4-5,8,10,12H2,1H3/b11-9-
InChIKeyWJGXMPKOLFHXBU-LUAWRHEFSA-N
MW286.37 g/mol
LogP2.97
Rot. Bonds1

About methyl (10Z)-12-hydroxytricyclo[10.4.0.04,9]hexadeca-4,6,8,10-tetraene-2-carboxylate

methyl (10Z)-12-hydroxytricyclo[10.4.0.04,9]hexadeca-4,6,8,10-tetraene-2-carboxylate (PubChem CID 101057364) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is methyl (10Z)-12-hydroxytricyclo[10.4.0.04,9]hexadeca-4,6,8,10-tetraene-2-carboxylate.

Molecular Properties

Compound Namemethyl (10Z)-12-hydroxytricyclo[10.4.0.04,9]hexadeca-4,6,8,10-tetraene-2-carboxylate
PubChem CID101057364
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Namemethyl (10Z)-12-hydroxytricyclo[10.4.0.04,9]hexadeca-4,6,8,10-tetraene-2-carboxylate
SMILESCOC(=O)C1Cc2ccccc2/C=C\C2(O)CCCCC12
InChIInChI=1S/C18H22O3/c1-21-17(19)15-12-14-7-3-2-6-13(14)9-11-18(20)10-5-4-8-16(15)18/h2-3,6-7,9,11,15-16,20H,4-5,8,10,12H2,1H3/b11-9-
InChIKeyWJGXMPKOLFHXBU-LUAWRHEFSA-N
XLogP2.97
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (10Z)-12-hydroxytricyclo[10.4.0.04,9]hexadeca-4,6,8,10-tetraene-2-carboxylate?
The IUPAC name of methyl (10Z)-12-hydroxytricyclo[10.4.0.04,9]hexadeca-4,6,8,10-tetraene-2-carboxylate (CID 101057364) is methyl (10Z)-12-hydroxytricyclo[10.4.0.04,9]hexadeca-4,6,8,10-tetraene-2-carboxylate.
What is the SMILES notation for methyl (10Z)-12-hydroxytricyclo[10.4.0.04,9]hexadeca-4,6,8,10-tetraene-2-carboxylate?
The canonical SMILES for methyl (10Z)-12-hydroxytricyclo[10.4.0.04,9]hexadeca-4,6,8,10-tetraene-2-carboxylate is COC(=O)C1Cc2ccccc2/C=C\C2(O)CCCCC12.
What is the InChIKey of methyl (10Z)-12-hydroxytricyclo[10.4.0.04,9]hexadeca-4,6,8,10-tetraene-2-carboxylate?
The InChIKey is WJGXMPKOLFHXBU-LUAWRHEFSA-N. The full InChI is InChI=1S/C18H22O3/c1-21-17(19)15-12-14-7-3-2-6-13(14)9-11-18(20)10-5-4-8-16(15)18/h2-3,6-7,9,11,15-16,20H,4-5,8,10,12H2,1H3/b11-9-.
What are the key properties of methyl (10Z)-12-hydroxytricyclo[10.4.0.04,9]hexadeca-4,6,8,10-tetraene-2-carboxylate?
methyl (10Z)-12-hydroxytricyclo[10.4.0.04,9]hexadeca-4,6,8,10-tetraene-2-carboxylate has a molecular weight of 286.37 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (10Z)-12-hydroxytricyclo[10.4.0.04,9]hexadeca-4,6,8,10-tetraene-2-carboxylate is sourced from PubChem (CID 101057364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).