(4Z,9Z,14Z,19Z)-2,7,12,17-tetraethyl-2,7,12,17-tetramethylcycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone

C32H40O8 — CID 45053186

IUPAC(4Z,9Z,14Z,19Z)-2,7,12,17-tetraethyl-2,7,12,17-tetramethylcycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone
SMILESCCC1(C)C(=O)/C=C\C(=O)C(C)(CC)C(=O)/C=C\C(=O)C(C)(CC)C(=O)/C=C\C(=O)C(C)(CC)C(=O)/C=C\C1=O
InChIInChI=1S/C32H40O8/c1-9-29(5)21(33)13-15-23(35)30(6,10-2)25(37)17-19-27(39)32(8,12-4)28(40)20-18-26(38)31(7,11-3)24(36)16-14-22(29)34/h13-20H,9-12H2,1-8H3/b15-13-,16-14-,19-17-,20-18-
InChIKeyGICCVQVEMBWCKG-WLYXFYDPSA-N
MW552.66 g/mol
LogP4.44
Rot. Bonds4

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

(4Z,9Z,14Z,19Z)-2,7,12,17-tetraethyl-2,7,12,17-tetramethylcycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone (PubChem CID 45053186) has the molecular formula C32H40O8 and a molecular weight of 552.66 g/mol. Its IUPAC name is (4Z,9Z,14Z,19Z)-2,7,12,17-tetraethyl-2,7,12,17-tetramethylcycloicosa-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-tetraethyl-2,7,12,17-tetramethylcycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone
PubChem CID45053186
Molecular FormulaC32H40O8
Molecular Weight552.66 g/mol
Exact Mass552.27
IUPAC Name(4Z,9Z,14Z,19Z)-2,7,12,17-tetraethyl-2,7,12,17-tetramethylcycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone
SMILESCCC1(C)C(=O)/C=C\C(=O)C(C)(CC)C(=O)/C=C\C(=O)C(C)(CC)C(=O)/C=C\C(=O)C(C)(CC)C(=O)/C=C\C1=O
InChIInChI=1S/C32H40O8/c1-9-29(5)21(33)13-15-23(35)30(6,10-2)25(37)17-19-27(39)32(8,12-4)28(40)20-18-26(38)31(7,11-3)24(36)16-14-22(29)34/h13-20H,9-12H2,1-8H3/b15-13-,16-14-,19-17-,20-18-
InChIKeyGICCVQVEMBWCKG-WLYXFYDPSA-N
XLogP4.44
TPSA136.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.66
LogP ≤ 54.44
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-tetraethyl-2,7,12,17-tetramethylcycloicosa-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-tetraethyl-2,7,12,17-tetramethylcycloicosa-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-tetraethyl-2,7,12,17-tetramethylcycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone (CID 45053186) is (4Z,9Z,14Z,19Z)-2,7,12,17-tetraethyl-2,7,12,17-tetramethylcycloicosa-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-tetraethyl-2,7,12,17-tetramethylcycloicosa-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-tetraethyl-2,7,12,17-tetramethylcycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone is CCC1(C)C(=O)/C=C\C(=O)C(C)(CC)C(=O)/C=C\C(=O)C(C)(CC)C(=O)/C=C\C(=O)C(C)(CC)C(=O)/C=C\C1=O.
What is the InChIKey of (4Z,9Z,14Z,19Z)-2,7,12,17-tetraethyl-2,7,12,17-tetramethylcycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone?
The InChIKey is GICCVQVEMBWCKG-WLYXFYDPSA-N. The full InChI is InChI=1S/C32H40O8/c1-9-29(5)21(33)13-15-23(35)30(6,10-2)25(37)17-19-27(39)32(8,12-4)28(40)20-18-26(38)31(7,11-3)24(36)16-14-22(29)34/h13-20H,9-12H2,1-8H3/b15-13-,16-14-,19-17-,20-18-.
What are the key properties of (4Z,9Z,14Z,19Z)-2,7,12,17-tetraethyl-2,7,12,17-tetramethylcycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone?
(4Z,9Z,14Z,19Z)-2,7,12,17-tetraethyl-2,7,12,17-tetramethylcycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone has a molecular weight of 552.66 g/mol, XLogP of 4.44, 4 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-tetraethyl-2,7,12,17-tetramethylcycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone is sourced from PubChem (CID 45053186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).