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

C28H32O8 — CID 5387612

IUPAC(4Z,9Z,14Z,19Z)-2,2,7,7,12,12,17,17-octamethylcycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone
SMILESCC1(C)C(=O)/C=C\C(=O)C(C)(C)C(=O)/C=C\C(=O)C(C)(C)C(=O)/C=C\C(=O)C(C)(C)C(=O)/C=C\C1=O
InChIInChI=1S/C28H32O8/c1-25(2)17(29)9-11-19(31)26(3,4)21(33)13-15-23(35)28(7,8)24(36)16-14-22(34)27(5,6)20(32)12-10-18(25)30/h9-16H,1-8H3/b11-9-,12-10-,15-13-,16-14-
InChIKeyZESYLGKHDBKSPD-LUHLCGLTSA-N
MW496.56 g/mol
LogP2.88
Rot. Bonds

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

(4Z,9Z,14Z,19Z)-2,2,7,7,12,12,17,17-octamethylcycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone (PubChem CID 5387612) has the molecular formula C28H32O8 and a molecular weight of 496.56 g/mol. Its IUPAC name is (4Z,9Z,14Z,19Z)-2,2,7,7,12,12,17,17-octamethylcycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone.

Molecular Properties

Compound Name(4Z,9Z,14Z,19Z)-2,2,7,7,12,12,17,17-octamethylcycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone
PubChem CID5387612
Molecular FormulaC28H32O8
Molecular Weight496.56 g/mol
Exact Mass496.21
IUPAC Name(4Z,9Z,14Z,19Z)-2,2,7,7,12,12,17,17-octamethylcycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone
SMILESCC1(C)C(=O)/C=C\C(=O)C(C)(C)C(=O)/C=C\C(=O)C(C)(C)C(=O)/C=C\C(=O)C(C)(C)C(=O)/C=C\C1=O
InChIInChI=1S/C28H32O8/c1-25(2)17(29)9-11-19(31)26(3,4)21(33)13-15-23(35)28(7,8)24(36)16-14-22(34)27(5,6)20(32)12-10-18(25)30/h9-16H,1-8H3/b11-9-,12-10-,15-13-,16-14-
InChIKeyZESYLGKHDBKSPD-LUHLCGLTSA-N
XLogP2.88
TPSA136.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.56
LogP ≤ 52.88
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)-2,2,7,7,12,12,17,17-octamethylcycloicosa-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)-2,2,7,7,12,12,17,17-octamethylcycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone?
The IUPAC name of (4Z,9Z,14Z,19Z)-2,2,7,7,12,12,17,17-octamethylcycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone (CID 5387612) is (4Z,9Z,14Z,19Z)-2,2,7,7,12,12,17,17-octamethylcycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone.
What is the SMILES notation for (4Z,9Z,14Z,19Z)-2,2,7,7,12,12,17,17-octamethylcycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone?
The canonical SMILES for (4Z,9Z,14Z,19Z)-2,2,7,7,12,12,17,17-octamethylcycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone is CC1(C)C(=O)/C=C\C(=O)C(C)(C)C(=O)/C=C\C(=O)C(C)(C)C(=O)/C=C\C(=O)C(C)(C)C(=O)/C=C\C1=O.
What is the InChIKey of (4Z,9Z,14Z,19Z)-2,2,7,7,12,12,17,17-octamethylcycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone?
The InChIKey is ZESYLGKHDBKSPD-LUHLCGLTSA-N. The full InChI is InChI=1S/C28H32O8/c1-25(2)17(29)9-11-19(31)26(3,4)21(33)13-15-23(35)28(7,8)24(36)16-14-22(34)27(5,6)20(32)12-10-18(25)30/h9-16H,1-8H3/b11-9-,12-10-,15-13-,16-14-.
What are the key properties of (4Z,9Z,14Z,19Z)-2,2,7,7,12,12,17,17-octamethylcycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone?
(4Z,9Z,14Z,19Z)-2,2,7,7,12,12,17,17-octamethylcycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone has a molecular weight of 496.56 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,9Z,14Z,19Z)-2,2,7,7,12,12,17,17-octamethylcycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone is sourced from PubChem (CID 5387612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).