(9Z,11Z,13Z,15Z)-9,10,11,12,13,14,15,16-octamethylcycloicosa-9,11,13,15-tetraene-1,2,3,4,5,6,7,8-octone

C28H32O8 — CID 176897336

IUPAC(9Z,11Z,13Z,15Z)-9,10,11,12,13,14,15,16-octamethylcycloicosa-9,11,13,15-tetraene-1,2,3,4,5,6,7,8-octone
SMILESC/C1=C(C)/C(C)=C(C)\C(C)=C(C)/C(C)=C(/C)C(=O)C(=O)C(=O)C(=O)C(=O)C(=O)C(=O)C(=O)CCCC1
InChIInChI=1S/C28H32O8/c1-13-11-9-10-12-21(29)23(31)25(33)27(35)28(36)26(34)24(32)22(30)20(8)19(7)18(6)17(5)16(4)15(3)14(13)2/h9-12H2,1-8H3/b14-13-,16-15-,18-17-,20-19-
InChIKeyHNHHOBZMNGVDMX-NBRPSZRZSA-N
MW496.56 g/mol
LogP3.46
Rot. Bonds

About (9Z,11Z,13Z,15Z)-9,10,11,12,13,14,15,16-octamethylcycloicosa-9,11,13,15-tetraene-1,2,3,4,5,6,7,8-octone

(9Z,11Z,13Z,15Z)-9,10,11,12,13,14,15,16-octamethylcycloicosa-9,11,13,15-tetraene-1,2,3,4,5,6,7,8-octone (PubChem CID 176897336) has the molecular formula C28H32O8 and a molecular weight of 496.56 g/mol. Its IUPAC name is (9Z,11Z,13Z,15Z)-9,10,11,12,13,14,15,16-octamethylcycloicosa-9,11,13,15-tetraene-1,2,3,4,5,6,7,8-octone.

Molecular Properties

Compound Name(9Z,11Z,13Z,15Z)-9,10,11,12,13,14,15,16-octamethylcycloicosa-9,11,13,15-tetraene-1,2,3,4,5,6,7,8-octone
PubChem CID176897336
Molecular FormulaC28H32O8
Molecular Weight496.56 g/mol
Exact Mass496.21
IUPAC Name(9Z,11Z,13Z,15Z)-9,10,11,12,13,14,15,16-octamethylcycloicosa-9,11,13,15-tetraene-1,2,3,4,5,6,7,8-octone
SMILESC/C1=C(C)/C(C)=C(C)\C(C)=C(C)/C(C)=C(/C)C(=O)C(=O)C(=O)C(=O)C(=O)C(=O)C(=O)C(=O)CCCC1
InChIInChI=1S/C28H32O8/c1-13-11-9-10-12-21(29)23(31)25(33)27(35)28(36)26(34)24(32)22(30)20(8)19(7)18(6)17(5)16(4)15(3)14(13)2/h9-12H2,1-8H3/b14-13-,16-15-,18-17-,20-19-
InChIKeyHNHHOBZMNGVDMX-NBRPSZRZSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze (9Z,11Z,13Z,15Z)-9,10,11,12,13,14,15,16-octamethylcycloicosa-9,11,13,15-tetraene-1,2,3,4,5,6,7,8-octone with MolForge

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Related Compounds

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(2-methyl-3-oxocyclohepten-1-yl) trifluoromethanesulfonate
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3-methyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one
CID 160955139
3-bromo-2-methylcyclohex-2-en-1-one
CID 557251
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3-methyl-2-prop-1-enylcyclohex-2-en-1-one
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CID 88698930

Frequently Asked Questions

What is the IUPAC name of (9Z,11Z,13Z,15Z)-9,10,11,12,13,14,15,16-octamethylcycloicosa-9,11,13,15-tetraene-1,2,3,4,5,6,7,8-octone?
The IUPAC name of (9Z,11Z,13Z,15Z)-9,10,11,12,13,14,15,16-octamethylcycloicosa-9,11,13,15-tetraene-1,2,3,4,5,6,7,8-octone (CID 176897336) is (9Z,11Z,13Z,15Z)-9,10,11,12,13,14,15,16-octamethylcycloicosa-9,11,13,15-tetraene-1,2,3,4,5,6,7,8-octone.
What is the SMILES notation for (9Z,11Z,13Z,15Z)-9,10,11,12,13,14,15,16-octamethylcycloicosa-9,11,13,15-tetraene-1,2,3,4,5,6,7,8-octone?
The canonical SMILES for (9Z,11Z,13Z,15Z)-9,10,11,12,13,14,15,16-octamethylcycloicosa-9,11,13,15-tetraene-1,2,3,4,5,6,7,8-octone is C/C1=C(C)/C(C)=C(C)\C(C)=C(C)/C(C)=C(/C)C(=O)C(=O)C(=O)C(=O)C(=O)C(=O)C(=O)C(=O)CCCC1.
What is the InChIKey of (9Z,11Z,13Z,15Z)-9,10,11,12,13,14,15,16-octamethylcycloicosa-9,11,13,15-tetraene-1,2,3,4,5,6,7,8-octone?
The InChIKey is HNHHOBZMNGVDMX-NBRPSZRZSA-N. The full InChI is InChI=1S/C28H32O8/c1-13-11-9-10-12-21(29)23(31)25(33)27(35)28(36)26(34)24(32)22(30)20(8)19(7)18(6)17(5)16(4)15(3)14(13)2/h9-12H2,1-8H3/b14-13-,16-15-,18-17-,20-19-.
What are the key properties of (9Z,11Z,13Z,15Z)-9,10,11,12,13,14,15,16-octamethylcycloicosa-9,11,13,15-tetraene-1,2,3,4,5,6,7,8-octone?
(9Z,11Z,13Z,15Z)-9,10,11,12,13,14,15,16-octamethylcycloicosa-9,11,13,15-tetraene-1,2,3,4,5,6,7,8-octone has a molecular weight of 496.56 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,11Z,13Z,15Z)-9,10,11,12,13,14,15,16-octamethylcycloicosa-9,11,13,15-tetraene-1,2,3,4,5,6,7,8-octone is sourced from PubChem (CID 176897336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).