(4E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-6-hydroxy-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-4,8,10,12,14,16,18,20,22,24-decaen-7-one

C40H56O2 — CID 171119586

IUPAC(4E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-6-hydroxy-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-4,8,10,12,14,16,18,20,22,24-decaen-7-one
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C(=O)C(C)(O)/C=C/CC(C)C)C(C)(C)CCC1
InChIInChI=1S/C40H56O2/c1-31(2)17-15-30-40(10,42)38(41)28-26-35(6)23-14-21-33(4)19-12-11-18-32(3)20-13-22-34(5)25-27-37-36(7)24-16-29-39(37,8)9/h11-15,18-23,25-28,30-31,42H,16-17,24,29H2,1-10H3/b12-11+,20-13+,21-14+,27-25+,28-26+,30-15+,32-18+,33-19+,34-22+,35-23+
InChIKeyTUURKEFQPJTKEV-OXPDWPRKSA-N
MW568.89 g/mol
LogP11.00
Rot. Bonds14

About (4E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-6-hydroxy-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-4,8,10,12,14,16,18,20,22,24-decaen-7-one

(4E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-6-hydroxy-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-4,8,10,12,14,16,18,20,22,24-decaen-7-one (PubChem CID 171119586) has the molecular formula C40H56O2 and a molecular weight of 568.89 g/mol. Its IUPAC name is (4E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-6-hydroxy-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-4,8,10,12,14,16,18,20,22,24-decaen-7-one.

Molecular Properties

Compound Name(4E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-6-hydroxy-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-4,8,10,12,14,16,18,20,22,24-decaen-7-one
PubChem CID171119586
Molecular FormulaC40H56O2
Molecular Weight568.89 g/mol
Exact Mass568.43
IUPAC Name(4E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-6-hydroxy-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-4,8,10,12,14,16,18,20,22,24-decaen-7-one
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C(=O)C(C)(O)/C=C/CC(C)C)C(C)(C)CCC1
InChIInChI=1S/C40H56O2/c1-31(2)17-15-30-40(10,42)38(41)28-26-35(6)23-14-21-33(4)19-12-11-18-32(3)20-13-22-34(5)25-27-37-36(7)24-16-29-39(37,8)9/h11-15,18-23,25-28,30-31,42H,16-17,24,29H2,1-10H3/b12-11+,20-13+,21-14+,27-25+,28-26+,30-15+,32-18+,33-19+,34-22+,35-23+
InChIKeyTUURKEFQPJTKEV-OXPDWPRKSA-N
XLogP11.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.89
LogP ≤ 511.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (4E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-6-hydroxy-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-4,8,10,12,14,16,18,20,22,24-decaen-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-6-hydroxy-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-4,8,10,12,14,16,18,20,22,24-decaen-7-one?
The IUPAC name of (4E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-6-hydroxy-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-4,8,10,12,14,16,18,20,22,24-decaen-7-one (CID 171119586) is (4E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-6-hydroxy-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-4,8,10,12,14,16,18,20,22,24-decaen-7-one.
What is the SMILES notation for (4E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-6-hydroxy-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-4,8,10,12,14,16,18,20,22,24-decaen-7-one?
The canonical SMILES for (4E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-6-hydroxy-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-4,8,10,12,14,16,18,20,22,24-decaen-7-one is CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C(=O)C(C)(O)/C=C/CC(C)C)C(C)(C)CCC1.
What is the InChIKey of (4E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-6-hydroxy-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-4,8,10,12,14,16,18,20,22,24-decaen-7-one?
The InChIKey is TUURKEFQPJTKEV-OXPDWPRKSA-N. The full InChI is InChI=1S/C40H56O2/c1-31(2)17-15-30-40(10,42)38(41)28-26-35(6)23-14-21-33(4)19-12-11-18-32(3)20-13-22-34(5)25-27-37-36(7)24-16-29-39(37,8)9/h11-15,18-23,25-28,30-31,42H,16-17,24,29H2,1-10H3/b12-11+,20-13+,21-14+,27-25+,28-26+,30-15+,32-18+,33-19+,34-22+,35-23+.
What are the key properties of (4E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-6-hydroxy-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-4,8,10,12,14,16,18,20,22,24-decaen-7-one?
(4E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-6-hydroxy-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-4,8,10,12,14,16,18,20,22,24-decaen-7-one has a molecular weight of 568.89 g/mol, XLogP of 11.00, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-6-hydroxy-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-4,8,10,12,14,16,18,20,22,24-decaen-7-one is sourced from PubChem (CID 171119586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).