20'-methoxy-1,1,5,5-tetramethylspiro[cyclohexane-3,14'-pentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(23),2,4,6,8,10,12,15,17,19,21-undecaene]-17'-ol

C33H34O2 — CID 59480291

IUPAC20'-methoxy-1,1,5,5-tetramethylspiro[cyclohexane-3,14'-pentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(23),2,4,6,8,10,12,15,17,19,21-undecaene]-17'-ol
SMILESCOc1ccc2c3c(cc(O)c2c1)C1(CC(C)(C)CC(C)(C)C1)c1ccccc1-c1ccccc1-3
InChIInChI=1S/C33H34O2/c1-31(2)18-32(3,4)20-33(19-31)27-13-9-8-11-23(27)22-10-6-7-12-24(22)30-25-15-14-21(35-5)16-26(25)29(34)17-28(30)33/h6-17,34H,18-20H2,1-5H3
InChIKeyVHEXUWLQGPVAJY-UHFFFAOYSA-N
MW462.63 g/mol
LogP8.72
Rot. Bonds1

About 20'-methoxy-1,1,5,5-tetramethylspiro[cyclohexane-3,14'-pentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(23),2,4,6,8,10,12,15,17,19,21-undecaene]-17'-ol

20'-methoxy-1,1,5,5-tetramethylspiro[cyclohexane-3,14'-pentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(23),2,4,6,8,10,12,15,17,19,21-undecaene]-17'-ol (PubChem CID 59480291) has the molecular formula C33H34O2 and a molecular weight of 462.63 g/mol. Its IUPAC name is 20'-methoxy-1,1,5,5-tetramethylspiro[cyclohexane-3,14'-pentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(23),2,4,6,8,10,12,15,17,19,21-undecaene]-17'-ol.

Molecular Properties

Compound Name20'-methoxy-1,1,5,5-tetramethylspiro[cyclohexane-3,14'-pentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(23),2,4,6,8,10,12,15,17,19,21-undecaene]-17'-ol
PubChem CID59480291
Molecular FormulaC33H34O2
Molecular Weight462.63 g/mol
Exact Mass462.26
IUPAC Name20'-methoxy-1,1,5,5-tetramethylspiro[cyclohexane-3,14'-pentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(23),2,4,6,8,10,12,15,17,19,21-undecaene]-17'-ol
SMILESCOc1ccc2c3c(cc(O)c2c1)C1(CC(C)(C)CC(C)(C)C1)c1ccccc1-c1ccccc1-3
InChIInChI=1S/C33H34O2/c1-31(2)18-32(3,4)20-33(19-31)27-13-9-8-11-23(27)22-10-6-7-12-24(22)30-25-15-14-21(35-5)16-26(25)29(34)17-28(30)33/h6-17,34H,18-20H2,1-5H3
InChIKeyVHEXUWLQGPVAJY-UHFFFAOYSA-N
XLogP8.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.63
LogP ≤ 58.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 20'-methoxy-1,1,5,5-tetramethylspiro[cyclohexane-3,14'-pentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(23),2,4,6,8,10,12,15,17,19,21-undecaene]-17'-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 20'-methoxy-1,1,5,5-tetramethylspiro[cyclohexane-3,14'-pentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(23),2,4,6,8,10,12,15,17,19,21-undecaene]-17'-ol?
The IUPAC name of 20'-methoxy-1,1,5,5-tetramethylspiro[cyclohexane-3,14'-pentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(23),2,4,6,8,10,12,15,17,19,21-undecaene]-17'-ol (CID 59480291) is 20'-methoxy-1,1,5,5-tetramethylspiro[cyclohexane-3,14'-pentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(23),2,4,6,8,10,12,15,17,19,21-undecaene]-17'-ol.
What is the SMILES notation for 20'-methoxy-1,1,5,5-tetramethylspiro[cyclohexane-3,14'-pentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(23),2,4,6,8,10,12,15,17,19,21-undecaene]-17'-ol?
The canonical SMILES for 20'-methoxy-1,1,5,5-tetramethylspiro[cyclohexane-3,14'-pentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(23),2,4,6,8,10,12,15,17,19,21-undecaene]-17'-ol is COc1ccc2c3c(cc(O)c2c1)C1(CC(C)(C)CC(C)(C)C1)c1ccccc1-c1ccccc1-3.
What is the InChIKey of 20'-methoxy-1,1,5,5-tetramethylspiro[cyclohexane-3,14'-pentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(23),2,4,6,8,10,12,15,17,19,21-undecaene]-17'-ol?
The InChIKey is VHEXUWLQGPVAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34O2/c1-31(2)18-32(3,4)20-33(19-31)27-13-9-8-11-23(27)22-10-6-7-12-24(22)30-25-15-14-21(35-5)16-26(25)29(34)17-28(30)33/h6-17,34H,18-20H2,1-5H3.
What are the key properties of 20'-methoxy-1,1,5,5-tetramethylspiro[cyclohexane-3,14'-pentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(23),2,4,6,8,10,12,15,17,19,21-undecaene]-17'-ol?
20'-methoxy-1,1,5,5-tetramethylspiro[cyclohexane-3,14'-pentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(23),2,4,6,8,10,12,15,17,19,21-undecaene]-17'-ol has a molecular weight of 462.63 g/mol, XLogP of 8.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 20'-methoxy-1,1,5,5-tetramethylspiro[cyclohexane-3,14'-pentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(23),2,4,6,8,10,12,15,17,19,21-undecaene]-17'-ol is sourced from PubChem (CID 59480291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).