(1R,11S,15S)-5-methoxy-6,12,12-trimethyl-16-oxatetracyclo[9.5.0.01,15.03,8]hexadeca-3(8),4,6-triene

C19H26O2 — CID 10493467

IUPAC(1R,11S,15S)-5-methoxy-6,12,12-trimethyl-16-oxatetracyclo[9.5.0.01,15.03,8]hexadeca-3(8),4,6-triene
SMILESCOc1cc2c(cc1C)CC[C@H]1C(C)(C)CC[C@@H]3O[C@@]31C2
InChIInChI=1S/C19H26O2/c1-12-9-13-5-6-16-18(2,3)8-7-17-19(16,21-17)11-14(13)10-15(12)20-4/h9-10,16-17H,5-8,11H2,1-4H3/t16-,17-,19+/m0/s1
InChIKeySLAHZRLQIQGNFW-JENIJYKNSA-N
MW286.42 g/mol
LogP4.07
Rot. Bonds1

About (1R,11S,15S)-5-methoxy-6,12,12-trimethyl-16-oxatetracyclo[9.5.0.01,15.03,8]hexadeca-3(8),4,6-triene

(1R,11S,15S)-5-methoxy-6,12,12-trimethyl-16-oxatetracyclo[9.5.0.01,15.03,8]hexadeca-3(8),4,6-triene (PubChem CID 10493467) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is (1R,11S,15S)-5-methoxy-6,12,12-trimethyl-16-oxatetracyclo[9.5.0.01,15.03,8]hexadeca-3(8),4,6-triene.

Molecular Properties

Compound Name(1R,11S,15S)-5-methoxy-6,12,12-trimethyl-16-oxatetracyclo[9.5.0.01,15.03,8]hexadeca-3(8),4,6-triene
PubChem CID10493467
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Name(1R,11S,15S)-5-methoxy-6,12,12-trimethyl-16-oxatetracyclo[9.5.0.01,15.03,8]hexadeca-3(8),4,6-triene
SMILESCOc1cc2c(cc1C)CC[C@H]1C(C)(C)CC[C@@H]3O[C@@]31C2
InChIInChI=1S/C19H26O2/c1-12-9-13-5-6-16-18(2,3)8-7-17-19(16,21-17)11-14(13)10-15(12)20-4/h9-10,16-17H,5-8,11H2,1-4H3/t16-,17-,19+/m0/s1
InChIKeySLAHZRLQIQGNFW-JENIJYKNSA-N
XLogP4.07
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1R,11S,15S)-5-methoxy-6,12,12-trimethyl-16-oxatetracyclo[9.5.0.01,15.03,8]hexadeca-3(8),4,6-triene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,11S,15S)-5-methoxy-6,12,12-trimethyl-16-oxatetracyclo[9.5.0.01,15.03,8]hexadeca-3(8),4,6-triene?
The IUPAC name of (1R,11S,15S)-5-methoxy-6,12,12-trimethyl-16-oxatetracyclo[9.5.0.01,15.03,8]hexadeca-3(8),4,6-triene (CID 10493467) is (1R,11S,15S)-5-methoxy-6,12,12-trimethyl-16-oxatetracyclo[9.5.0.01,15.03,8]hexadeca-3(8),4,6-triene.
What is the SMILES notation for (1R,11S,15S)-5-methoxy-6,12,12-trimethyl-16-oxatetracyclo[9.5.0.01,15.03,8]hexadeca-3(8),4,6-triene?
The canonical SMILES for (1R,11S,15S)-5-methoxy-6,12,12-trimethyl-16-oxatetracyclo[9.5.0.01,15.03,8]hexadeca-3(8),4,6-triene is COc1cc2c(cc1C)CC[C@H]1C(C)(C)CC[C@@H]3O[C@@]31C2.
What is the InChIKey of (1R,11S,15S)-5-methoxy-6,12,12-trimethyl-16-oxatetracyclo[9.5.0.01,15.03,8]hexadeca-3(8),4,6-triene?
The InChIKey is SLAHZRLQIQGNFW-JENIJYKNSA-N. The full InChI is InChI=1S/C19H26O2/c1-12-9-13-5-6-16-18(2,3)8-7-17-19(16,21-17)11-14(13)10-15(12)20-4/h9-10,16-17H,5-8,11H2,1-4H3/t16-,17-,19+/m0/s1.
What are the key properties of (1R,11S,15S)-5-methoxy-6,12,12-trimethyl-16-oxatetracyclo[9.5.0.01,15.03,8]hexadeca-3(8),4,6-triene?
(1R,11S,15S)-5-methoxy-6,12,12-trimethyl-16-oxatetracyclo[9.5.0.01,15.03,8]hexadeca-3(8),4,6-triene has a molecular weight of 286.42 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,11S,15S)-5-methoxy-6,12,12-trimethyl-16-oxatetracyclo[9.5.0.01,15.03,8]hexadeca-3(8),4,6-triene is sourced from PubChem (CID 10493467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).