(4Z,9Z,14Z,19Z)-2,7,12,17-tetramethyl-2,7,12,17-tetrakis(2-methylpropyl)cycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone

C40H56O8 — CID 45053187

IUPAC(4Z,9Z,14Z,19Z)-2,7,12,17-tetramethyl-2,7,12,17-tetrakis(2-methylpropyl)cycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone
SMILESCC(C)CC1(C)C(=O)/C=C\C(=O)C(C)(CC(C)C)C(=O)/C=C\C(=O)C(C)(CC(C)C)C(=O)/C=C\C(=O)C(C)(CC(C)C)C(=O)/C=C\C1=O
InChIInChI=1S/C40H56O8/c1-25(2)21-37(9)29(41)13-15-31(43)38(10,22-26(3)4)33(45)17-19-35(47)40(12,24-28(7)8)36(48)20-18-34(46)39(11,23-27(5)6)32(44)16-14-30(37)42/h13-20,25-28H,21-24H2,1-12H3/b15-13-,16-14-,19-17-,20-18-
InChIKeyOFFIVFDSFZLMSJ-WLYXFYDPSA-N
MW664.88 g/mol
LogP6.99
Rot. Bonds8

About (4Z,9Z,14Z,19Z)-2,7,12,17-tetramethyl-2,7,12,17-tetrakis(2-methylpropyl)cycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone

(4Z,9Z,14Z,19Z)-2,7,12,17-tetramethyl-2,7,12,17-tetrakis(2-methylpropyl)cycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone (PubChem CID 45053187) has the molecular formula C40H56O8 and a molecular weight of 664.88 g/mol. Its IUPAC name is (4Z,9Z,14Z,19Z)-2,7,12,17-tetramethyl-2,7,12,17-tetrakis(2-methylpropyl)cycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone.

Molecular Properties

Compound Name(4Z,9Z,14Z,19Z)-2,7,12,17-tetramethyl-2,7,12,17-tetrakis(2-methylpropyl)cycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone
PubChem CID45053187
Molecular FormulaC40H56O8
Molecular Weight664.88 g/mol
Exact Mass664.40
IUPAC Name(4Z,9Z,14Z,19Z)-2,7,12,17-tetramethyl-2,7,12,17-tetrakis(2-methylpropyl)cycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone
SMILESCC(C)CC1(C)C(=O)/C=C\C(=O)C(C)(CC(C)C)C(=O)/C=C\C(=O)C(C)(CC(C)C)C(=O)/C=C\C(=O)C(C)(CC(C)C)C(=O)/C=C\C1=O
InChIInChI=1S/C40H56O8/c1-25(2)21-37(9)29(41)13-15-31(43)38(10,22-26(3)4)33(45)17-19-35(47)40(12,24-28(7)8)36(48)20-18-34(46)39(11,23-27(5)6)32(44)16-14-30(37)42/h13-20,25-28H,21-24H2,1-12H3/b15-13-,16-14-,19-17-,20-18-
InChIKeyOFFIVFDSFZLMSJ-WLYXFYDPSA-N
XLogP6.99
TPSA136.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.88
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (4Z,9Z,14Z,19Z)-2,7,12,17-tetramethyl-2,7,12,17-tetrakis(2-methylpropyl)cycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4Z,9Z,14Z,19Z)-2,7,12,17-tetramethyl-2,7,12,17-tetrakis(2-methylpropyl)cycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone?
The IUPAC name of (4Z,9Z,14Z,19Z)-2,7,12,17-tetramethyl-2,7,12,17-tetrakis(2-methylpropyl)cycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone (CID 45053187) is (4Z,9Z,14Z,19Z)-2,7,12,17-tetramethyl-2,7,12,17-tetrakis(2-methylpropyl)cycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone.
What is the SMILES notation for (4Z,9Z,14Z,19Z)-2,7,12,17-tetramethyl-2,7,12,17-tetrakis(2-methylpropyl)cycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone?
The canonical SMILES for (4Z,9Z,14Z,19Z)-2,7,12,17-tetramethyl-2,7,12,17-tetrakis(2-methylpropyl)cycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone is CC(C)CC1(C)C(=O)/C=C\C(=O)C(C)(CC(C)C)C(=O)/C=C\C(=O)C(C)(CC(C)C)C(=O)/C=C\C(=O)C(C)(CC(C)C)C(=O)/C=C\C1=O.
What is the InChIKey of (4Z,9Z,14Z,19Z)-2,7,12,17-tetramethyl-2,7,12,17-tetrakis(2-methylpropyl)cycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone?
The InChIKey is OFFIVFDSFZLMSJ-WLYXFYDPSA-N. The full InChI is InChI=1S/C40H56O8/c1-25(2)21-37(9)29(41)13-15-31(43)38(10,22-26(3)4)33(45)17-19-35(47)40(12,24-28(7)8)36(48)20-18-34(46)39(11,23-27(5)6)32(44)16-14-30(37)42/h13-20,25-28H,21-24H2,1-12H3/b15-13-,16-14-,19-17-,20-18-.
What are the key properties of (4Z,9Z,14Z,19Z)-2,7,12,17-tetramethyl-2,7,12,17-tetrakis(2-methylpropyl)cycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone?
(4Z,9Z,14Z,19Z)-2,7,12,17-tetramethyl-2,7,12,17-tetrakis(2-methylpropyl)cycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone has a molecular weight of 664.88 g/mol, XLogP of 6.99, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,9Z,14Z,19Z)-2,7,12,17-tetramethyl-2,7,12,17-tetrakis(2-methylpropyl)cycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone is sourced from PubChem (CID 45053187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).