acetaldehyde;methyl (9R,10R,11R,12S,13S,14R,15S,16R)-9,10,11,12,13,14,15,16,17-nonamethyloctadecanoate;methyl (Z)-octadec-9-enoate;methyl 19-oxononadecanoate;rhodium

C69H134O8Rh — CID 161374453

IUPACacetaldehyde;methyl (9R,10R,11R,12S,13S,14R,15S,16R)-9,10,11,12,13,14,15,16,17-nonamethyloctadecanoate;methyl (Z)-octadec-9-enoate;methyl 19-oxononadecanoate;rhodium
SMILESCC=O.CCCCCCCC/C=C\CCCCCCCC(=O)OC.COC(=O)CCCCCCCCCCCCCCCCCC=O.COC(=O)CCCCCCC[C@@H](C)[C@@H](C)[C@@H](C)[C@H](C)[C@@H](C)[C@H](C)[C@@H](C)[C@H](C)C(C)C.[Rh]
InChIInChI=1S/C28H56O2.C20H38O3.C19H36O2.C2H4O.Rh/c1-19(2)21(4)23(6)25(8)27(10)26(9)24(7)22(5)20(3)17-15-13-12-14-16-18-28(29)30-11;1-23-20(22)18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2;1-2-3;/h19-27H,12-18H2,1-11H3;19H,2-18H2,1H3;10-11H,3-9,12-18H2,1-2H3;2H,1H3;/b;;11-10-;;/t20-,21-,22-,23+,24-,25-,26+,27+;;;;/m1..../s1
InChIKeyVQWUTJCAJLTDTI-AMLPNLFXSA-N
MW1194.73 g/mol
LogP21.02
Rot. Bonds49

About acetaldehyde;methyl (9R,10R,11R,12S,13S,14R,15S,16R)-9,10,11,12,13,14,15,16,17-nonamethyloctadecanoate;methyl (Z)-octadec-9-enoate;methyl 19-oxononadecanoate;rhodium

acetaldehyde;methyl (9R,10R,11R,12S,13S,14R,15S,16R)-9,10,11,12,13,14,15,16,17-nonamethyloctadecanoate;methyl (Z)-octadec-9-enoate;methyl 19-oxononadecanoate;rhodium (PubChem CID 161374453) has the molecular formula C69H134O8Rh and a molecular weight of 1194.73 g/mol. Its IUPAC name is acetaldehyde;methyl (9R,10R,11R,12S,13S,14R,15S,16R)-9,10,11,12,13,14,15,16,17-nonamethyloctadecanoate;methyl (Z)-octadec-9-enoate;methyl 19-oxononadecanoate;rhodium.

Molecular Properties

Compound Nameacetaldehyde;methyl (9R,10R,11R,12S,13S,14R,15S,16R)-9,10,11,12,13,14,15,16,17-nonamethyloctadecanoate;methyl (Z)-octadec-9-enoate;methyl 19-oxononadecanoate;rhodium
PubChem CID161374453
Molecular FormulaC69H134O8Rh
Molecular Weight1194.73 g/mol
Exact Mass1193.91
IUPAC Nameacetaldehyde;methyl (9R,10R,11R,12S,13S,14R,15S,16R)-9,10,11,12,13,14,15,16,17-nonamethyloctadecanoate;methyl (Z)-octadec-9-enoate;methyl 19-oxononadecanoate;rhodium
SMILESCC=O.CCCCCCCC/C=C\CCCCCCCC(=O)OC.COC(=O)CCCCCCCCCCCCCCCCCC=O.COC(=O)CCCCCCC[C@@H](C)[C@@H](C)[C@@H](C)[C@H](C)[C@@H](C)[C@H](C)[C@@H](C)[C@H](C)C(C)C.[Rh]
InChIInChI=1S/C28H56O2.C20H38O3.C19H36O2.C2H4O.Rh/c1-19(2)21(4)23(6)25(8)27(10)26(9)24(7)22(5)20(3)17-15-13-12-14-16-18-28(29)30-11;1-23-20(22)18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2;1-2-3;/h19-27H,12-18H2,1-11H3;19H,2-18H2,1H3;10-11H,3-9,12-18H2,1-2H3;2H,1H3;/b;;11-10-;;/t20-,21-,22-,23+,24-,25-,26+,27+;;;;/m1..../s1
InChIKeyVQWUTJCAJLTDTI-AMLPNLFXSA-N
XLogP21.02
TPSA113.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds49
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001194.73
LogP ≤ 521.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze acetaldehyde;methyl (9R,10R,11R,12S,13S,14R,15S,16R)-9,10,11,12,13,14,15,16,17-nonamethyloctadecanoate;methyl (Z)-octadec-9-enoate;methyl 19-oxononadecanoate;rhodium with MolForge

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Related Compounds

acetaldehyde;methyl nonadecanoate;methyl (E)-nonadec-10-enoate;methyl octadecanoate;methyl (Z)-octadec-9-enoate
CID 161011113
methyl (9R,10R,11R,12S,13S,14R,15S,16R)-9,10,11,12,13,14,15,16,17-nonamethyloctadecanoate
CID 153434814
methyl 13-oxo-12-(6-oxohexyl)triacont-21-enoate
CID 54026694
methyl (E)-octadec-12-enoate
CID 5364503
methyl (Z)-dotriacont-15-enoate
CID 100966062
methyl octadec-7-enoate
CID 543314
methyl (Z)-octadec-12-enoate
CID 12963317
methyl (Z)-octadec-9-enoate
CID 5364509
methyl (E)-octadec-7-enoate
CID 5364440
methyl (Z)-octadec-9-enoate;phosphane
CID 175307960
methyl 9-hydroxyhexadec-7-enoate
CID 73069311
methyl (E)-14-methylhexadec-9-enoate
CID 91695396

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;methyl (9R,10R,11R,12S,13S,14R,15S,16R)-9,10,11,12,13,14,15,16,17-nonamethyloctadecanoate;methyl (Z)-octadec-9-enoate;methyl 19-oxononadecanoate;rhodium?
The IUPAC name of acetaldehyde;methyl (9R,10R,11R,12S,13S,14R,15S,16R)-9,10,11,12,13,14,15,16,17-nonamethyloctadecanoate;methyl (Z)-octadec-9-enoate;methyl 19-oxononadecanoate;rhodium (CID 161374453) is acetaldehyde;methyl (9R,10R,11R,12S,13S,14R,15S,16R)-9,10,11,12,13,14,15,16,17-nonamethyloctadecanoate;methyl (Z)-octadec-9-enoate;methyl 19-oxononadecanoate;rhodium.
What is the SMILES notation for acetaldehyde;methyl (9R,10R,11R,12S,13S,14R,15S,16R)-9,10,11,12,13,14,15,16,17-nonamethyloctadecanoate;methyl (Z)-octadec-9-enoate;methyl 19-oxononadecanoate;rhodium?
The canonical SMILES for acetaldehyde;methyl (9R,10R,11R,12S,13S,14R,15S,16R)-9,10,11,12,13,14,15,16,17-nonamethyloctadecanoate;methyl (Z)-octadec-9-enoate;methyl 19-oxononadecanoate;rhodium is CC=O.CCCCCCCC/C=C\CCCCCCCC(=O)OC.COC(=O)CCCCCCCCCCCCCCCCCC=O.COC(=O)CCCCCCC[C@@H](C)[C@@H](C)[C@@H](C)[C@H](C)[C@@H](C)[C@H](C)[C@@H](C)[C@H](C)C(C)C.[Rh].
What is the InChIKey of acetaldehyde;methyl (9R,10R,11R,12S,13S,14R,15S,16R)-9,10,11,12,13,14,15,16,17-nonamethyloctadecanoate;methyl (Z)-octadec-9-enoate;methyl 19-oxononadecanoate;rhodium?
The InChIKey is VQWUTJCAJLTDTI-AMLPNLFXSA-N. The full InChI is InChI=1S/C28H56O2.C20H38O3.C19H36O2.C2H4O.Rh/c1-19(2)21(4)23(6)25(8)27(10)26(9)24(7)22(5)20(3)17-15-13-12-14-16-18-28(29)30-11;1-23-20(22)18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2;1-2-3;/h19-27H,12-18H2,1-11H3;19H,2-18H2,1H3;10-11H,3-9,12-18H2,1-2H3;2H,1H3;/b;;11-10-;;/t20-,21-,22-,23+,24-,25-,26+,27+;;;;/m1..../s1.
What are the key properties of acetaldehyde;methyl (9R,10R,11R,12S,13S,14R,15S,16R)-9,10,11,12,13,14,15,16,17-nonamethyloctadecanoate;methyl (Z)-octadec-9-enoate;methyl 19-oxononadecanoate;rhodium?
acetaldehyde;methyl (9R,10R,11R,12S,13S,14R,15S,16R)-9,10,11,12,13,14,15,16,17-nonamethyloctadecanoate;methyl (Z)-octadec-9-enoate;methyl 19-oxononadecanoate;rhodium has a molecular weight of 1194.73 g/mol, XLogP of 21.02, 49 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;methyl (9R,10R,11R,12S,13S,14R,15S,16R)-9,10,11,12,13,14,15,16,17-nonamethyloctadecanoate;methyl (Z)-octadec-9-enoate;methyl 19-oxononadecanoate;rhodium is sourced from PubChem (CID 161374453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).