6'-ethyl-9-hydroxy-5',6,10,14,16-pentamethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3,7-dione

C32H46O6 — CID 163051242

IUPAC6'-ethyl-9-hydroxy-5',6,10,14,16-pentamethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3,7-dione
SMILESCCC1OC2(CCC1C)CC1CC(CC=C(C)CC(C)C=CC=C(C)C3(O)CC(=O)C(C)=CC3C(=O)O1)O2
InChIInChI=1S/C32H46O6/c1-7-29-22(4)13-14-31(38-29)18-26-17-25(37-31)12-11-21(3)15-20(2)9-8-10-24(6)32(35)19-28(33)23(5)16-27(32)30(34)36-26/h8-11,16,20,22,25-27,29,35H,7,12-15,17-19H2,1-6H3
InChIKeyVPZCPXVSRRYBQC-UHFFFAOYSA-N
MW526.71 g/mol
LogP6.14
Rot. Bonds1

About 6'-ethyl-9-hydroxy-5',6,10,14,16-pentamethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3,7-dione

6'-ethyl-9-hydroxy-5',6,10,14,16-pentamethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3,7-dione (PubChem CID 163051242) has the molecular formula C32H46O6 and a molecular weight of 526.71 g/mol. Its IUPAC name is 6'-ethyl-9-hydroxy-5',6,10,14,16-pentamethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3,7-dione.

Molecular Properties

Compound Name6'-ethyl-9-hydroxy-5',6,10,14,16-pentamethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3,7-dione
PubChem CID163051242
Molecular FormulaC32H46O6
Molecular Weight526.71 g/mol
Exact Mass526.33
IUPAC Name6'-ethyl-9-hydroxy-5',6,10,14,16-pentamethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3,7-dione
SMILESCCC1OC2(CCC1C)CC1CC(CC=C(C)CC(C)C=CC=C(C)C3(O)CC(=O)C(C)=CC3C(=O)O1)O2
InChIInChI=1S/C32H46O6/c1-7-29-22(4)13-14-31(38-29)18-26-17-25(37-31)12-11-21(3)15-20(2)9-8-10-24(6)32(35)19-28(33)23(5)16-27(32)30(34)36-26/h8-11,16,20,22,25-27,29,35H,7,12-15,17-19H2,1-6H3
InChIKeyVPZCPXVSRRYBQC-UHFFFAOYSA-N
XLogP6.14
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.71
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6'-ethyl-9-hydroxy-5',6,10,14,16-pentamethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3,7-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6'-ethyl-9-hydroxy-5',6,10,14,16-pentamethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3,7-dione?
The IUPAC name of 6'-ethyl-9-hydroxy-5',6,10,14,16-pentamethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3,7-dione (CID 163051242) is 6'-ethyl-9-hydroxy-5',6,10,14,16-pentamethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3,7-dione.
What is the SMILES notation for 6'-ethyl-9-hydroxy-5',6,10,14,16-pentamethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3,7-dione?
The canonical SMILES for 6'-ethyl-9-hydroxy-5',6,10,14,16-pentamethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3,7-dione is CCC1OC2(CCC1C)CC1CC(CC=C(C)CC(C)C=CC=C(C)C3(O)CC(=O)C(C)=CC3C(=O)O1)O2.
What is the InChIKey of 6'-ethyl-9-hydroxy-5',6,10,14,16-pentamethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3,7-dione?
The InChIKey is VPZCPXVSRRYBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46O6/c1-7-29-22(4)13-14-31(38-29)18-26-17-25(37-31)12-11-21(3)15-20(2)9-8-10-24(6)32(35)19-28(33)23(5)16-27(32)30(34)36-26/h8-11,16,20,22,25-27,29,35H,7,12-15,17-19H2,1-6H3.
What are the key properties of 6'-ethyl-9-hydroxy-5',6,10,14,16-pentamethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3,7-dione?
6'-ethyl-9-hydroxy-5',6,10,14,16-pentamethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3,7-dione has a molecular weight of 526.71 g/mol, XLogP of 6.14, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-ethyl-9-hydroxy-5',6,10,14,16-pentamethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3,7-dione is sourced from PubChem (CID 163051242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).