(6Z,8E,10E,12E,14Z,16E,18E,20E,22Z,24E)-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-1,6,8,10,12,14,16,18,20,22,24-undecaen-3-ol

C40H56O — CID 131752086

IUPAC(6Z,8E,10E,12E,14Z,16E,18E,20E,22Z,24E)-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-1,6,8,10,12,14,16,18,20,22,24-undecaen-3-ol
SMILESC=C(C)C(O)CC/C(C)=C\C=C\C(C)=C\C=C\C(C)=C/C=C/C=C(C)/C=C/C=C(C)\C=C\C1=C(C)CCCC1(C)C
InChIInChI=1S/C40H56O/c1-31(2)39(41)29-27-36(7)24-15-22-34(5)21-13-19-32(3)17-11-12-18-33(4)20-14-23-35(6)26-28-38-37(8)25-16-30-40(38,9)10/h11-15,17-24,26,28,39,41H,1,16,25,27,29-30H2,2-10H3/b12-11+,19-13+,20-14+,22-15+,28-26+,32-17-,33-18+,34-21+,35-23-,36-24-
InChIKeyQNZZRCYICVHHEE-RBXKNNLHSA-N
MW552.89 g/mol
LogP11.74
Rot. Bonds14

About (6Z,8E,10E,12E,14Z,16E,18E,20E,22Z,24E)-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-1,6,8,10,12,14,16,18,20,22,24-undecaen-3-ol

(6Z,8E,10E,12E,14Z,16E,18E,20E,22Z,24E)-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-1,6,8,10,12,14,16,18,20,22,24-undecaen-3-ol (PubChem CID 131752086) has the molecular formula C40H56O and a molecular weight of 552.89 g/mol. Its IUPAC name is (6Z,8E,10E,12E,14Z,16E,18E,20E,22Z,24E)-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-1,6,8,10,12,14,16,18,20,22,24-undecaen-3-ol.

Molecular Properties

Compound Name(6Z,8E,10E,12E,14Z,16E,18E,20E,22Z,24E)-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-1,6,8,10,12,14,16,18,20,22,24-undecaen-3-ol
PubChem CID131752086
Molecular FormulaC40H56O
Molecular Weight552.89 g/mol
Exact Mass552.43
IUPAC Name(6Z,8E,10E,12E,14Z,16E,18E,20E,22Z,24E)-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-1,6,8,10,12,14,16,18,20,22,24-undecaen-3-ol
SMILESC=C(C)C(O)CC/C(C)=C\C=C\C(C)=C\C=C\C(C)=C/C=C/C=C(C)/C=C/C=C(C)\C=C\C1=C(C)CCCC1(C)C
InChIInChI=1S/C40H56O/c1-31(2)39(41)29-27-36(7)24-15-22-34(5)21-13-19-32(3)17-11-12-18-33(4)20-14-23-35(6)26-28-38-37(8)25-16-30-40(38,9)10/h11-15,17-24,26,28,39,41H,1,16,25,27,29-30H2,2-10H3/b12-11+,19-13+,20-14+,22-15+,28-26+,32-17-,33-18+,34-21+,35-23-,36-24-
InChIKeyQNZZRCYICVHHEE-RBXKNNLHSA-N
XLogP11.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.89
LogP ≤ 511.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (6Z,8E,10E,12E,14Z,16E,18E,20E,22Z,24E)-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-1,6,8,10,12,14,16,18,20,22,24-undecaen-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6Z,8E,10E,12E,14Z,16E,18E,20E,22Z,24E)-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-1,6,8,10,12,14,16,18,20,22,24-undecaen-3-ol?
The IUPAC name of (6Z,8E,10E,12E,14Z,16E,18E,20E,22Z,24E)-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-1,6,8,10,12,14,16,18,20,22,24-undecaen-3-ol (CID 131752086) is (6Z,8E,10E,12E,14Z,16E,18E,20E,22Z,24E)-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-1,6,8,10,12,14,16,18,20,22,24-undecaen-3-ol.
What is the SMILES notation for (6Z,8E,10E,12E,14Z,16E,18E,20E,22Z,24E)-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-1,6,8,10,12,14,16,18,20,22,24-undecaen-3-ol?
The canonical SMILES for (6Z,8E,10E,12E,14Z,16E,18E,20E,22Z,24E)-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-1,6,8,10,12,14,16,18,20,22,24-undecaen-3-ol is C=C(C)C(O)CC/C(C)=C\C=C\C(C)=C\C=C\C(C)=C/C=C/C=C(C)/C=C/C=C(C)\C=C\C1=C(C)CCCC1(C)C.
What is the InChIKey of (6Z,8E,10E,12E,14Z,16E,18E,20E,22Z,24E)-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-1,6,8,10,12,14,16,18,20,22,24-undecaen-3-ol?
The InChIKey is QNZZRCYICVHHEE-RBXKNNLHSA-N. The full InChI is InChI=1S/C40H56O/c1-31(2)39(41)29-27-36(7)24-15-22-34(5)21-13-19-32(3)17-11-12-18-33(4)20-14-23-35(6)26-28-38-37(8)25-16-30-40(38,9)10/h11-15,17-24,26,28,39,41H,1,16,25,27,29-30H2,2-10H3/b12-11+,19-13+,20-14+,22-15+,28-26+,32-17-,33-18+,34-21+,35-23-,36-24-.
What are the key properties of (6Z,8E,10E,12E,14Z,16E,18E,20E,22Z,24E)-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-1,6,8,10,12,14,16,18,20,22,24-undecaen-3-ol?
(6Z,8E,10E,12E,14Z,16E,18E,20E,22Z,24E)-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-1,6,8,10,12,14,16,18,20,22,24-undecaen-3-ol has a molecular weight of 552.89 g/mol, XLogP of 11.74, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8E,10E,12E,14Z,16E,18E,20E,22Z,24E)-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-1,6,8,10,12,14,16,18,20,22,24-undecaen-3-ol is sourced from PubChem (CID 131752086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).