acetaldehyde;N,N-dimethylmethanamine;(8Z,12Z)-9-ethyl-3,6,15,18-tetramethyl-7,10,11,14-tetramethylideneicosa-8,12-diene;propane

C38H71NO — CID 145235041

IUPACacetaldehyde;N,N-dimethylmethanamine;(8Z,12Z)-9-ethyl-3,6,15,18-tetramethyl-7,10,11,14-tetramethylideneicosa-8,12-diene;propane
SMILESC=C(/C=C\C(=C)C(C)CCC(C)CC)C(=C)/C(=C\C(=C)C(C)CCC(C)CC)CC.CC=O.CCC.CN(C)C
InChIInChI=1S/C30H50.C3H9N.C3H8.C2H4O/c1-12-22(4)15-17-24(6)25(7)19-20-27(9)29(11)30(14-3)21-28(10)26(8)18-16-23(5)13-2;1-4(2)3;1-3-2;1-2-3/h19-24,26H,7,9-18H2,1-6,8H3;1-3H3;3H2,1-2H3;2H,1H3/b20-19-,30-21-;;;
InChIKeyXIKNOSBLCCOHLR-NGCBZSCRSA-N
MW557.99 g/mol
LogP11.83
Rot. Bonds16

About acetaldehyde;N,N-dimethylmethanamine;(8Z,12Z)-9-ethyl-3,6,15,18-tetramethyl-7,10,11,14-tetramethylideneicosa-8,12-diene;propane

acetaldehyde;N,N-dimethylmethanamine;(8Z,12Z)-9-ethyl-3,6,15,18-tetramethyl-7,10,11,14-tetramethylideneicosa-8,12-diene;propane (PubChem CID 145235041) has the molecular formula C38H71NO and a molecular weight of 557.99 g/mol. Its IUPAC name is acetaldehyde;N,N-dimethylmethanamine;(8Z,12Z)-9-ethyl-3,6,15,18-tetramethyl-7,10,11,14-tetramethylideneicosa-8,12-diene;propane.

Molecular Properties

Compound Nameacetaldehyde;N,N-dimethylmethanamine;(8Z,12Z)-9-ethyl-3,6,15,18-tetramethyl-7,10,11,14-tetramethylideneicosa-8,12-diene;propane
PubChem CID145235041
Molecular FormulaC38H71NO
Molecular Weight557.99 g/mol
Exact Mass557.55
IUPAC Nameacetaldehyde;N,N-dimethylmethanamine;(8Z,12Z)-9-ethyl-3,6,15,18-tetramethyl-7,10,11,14-tetramethylideneicosa-8,12-diene;propane
SMILESC=C(/C=C\C(=C)C(C)CCC(C)CC)C(=C)/C(=C\C(=C)C(C)CCC(C)CC)CC.CC=O.CCC.CN(C)C
InChIInChI=1S/C30H50.C3H9N.C3H8.C2H4O/c1-12-22(4)15-17-24(6)25(7)19-20-27(9)29(11)30(14-3)21-28(10)26(8)18-16-23(5)13-2;1-4(2)3;1-3-2;1-2-3/h19-24,26H,7,9-18H2,1-6,8H3;1-3H3;3H2,1-2H3;2H,1H3/b20-19-,30-21-;;;
InChIKeyXIKNOSBLCCOHLR-NGCBZSCRSA-N
XLogP11.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.99
LogP ≤ 511.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethylmethanamine;ethane;(3Z,8E)-4-ethenyl-11-methyl-7-methylidene-8-prop-2-enylidenedodeca-1,3-dien-1-one
CID 143713482
acetaldehyde;ethane;(2Z,4Z,9Z,10Z)-5-ethenyl-9-ethylidene-8-propyldodeca-2,4,10-triene
CID 144983518
acetaldehyde;N,N-dimethylmethanamine;(3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene;propane
CID 145234993
acetaldehyde;N,N-dimethylmethanamine;(4Z,8E,12Z,15E)-8-fluoro-15,18-dimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12,15-tetraene;propane
CID 145235027
acetaldehyde;N,N-dimethylmethanamine;1-[(Z)-8-ethyl-2,3,6-trimethyl-7,10-dimethylidenedodec-8-enyl]-2-methyl-4-(4-pentylcyclohexyl)cyclohexane
CID 145235118
N,N-dimethylmethanamine;ethane;(4Z,8Z,12Z)-8-ethyl-12,15,18-trimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12-triene;formaldehyde;propane
CID 145235145
acetaldehyde;(4Z,8Z,12Z)-9-ethyl-15,18-dimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12-triene;N-methylmethanamine;propane
CID 145235158
acetaldehyde;N,N-dimethylmethanamine;(E)-5-fluoro-7,10,11,14-tetramethyl-3,6-dimethylidenehexadec-4-ene;propane
CID 145235167
acetaldehyde;(4E,8E,12Z)-5,8-difluoro-15,18-dimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12-triene;N-methylmethanamine;propane
CID 145235188

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;N,N-dimethylmethanamine;(8Z,12Z)-9-ethyl-3,6,15,18-tetramethyl-7,10,11,14-tetramethylideneicosa-8,12-diene;propane?
The IUPAC name of acetaldehyde;N,N-dimethylmethanamine;(8Z,12Z)-9-ethyl-3,6,15,18-tetramethyl-7,10,11,14-tetramethylideneicosa-8,12-diene;propane (CID 145235041) is acetaldehyde;N,N-dimethylmethanamine;(8Z,12Z)-9-ethyl-3,6,15,18-tetramethyl-7,10,11,14-tetramethylideneicosa-8,12-diene;propane.
What is the SMILES notation for acetaldehyde;N,N-dimethylmethanamine;(8Z,12Z)-9-ethyl-3,6,15,18-tetramethyl-7,10,11,14-tetramethylideneicosa-8,12-diene;propane?
The canonical SMILES for acetaldehyde;N,N-dimethylmethanamine;(8Z,12Z)-9-ethyl-3,6,15,18-tetramethyl-7,10,11,14-tetramethylideneicosa-8,12-diene;propane is C=C(/C=C\C(=C)C(C)CCC(C)CC)C(=C)/C(=C\C(=C)C(C)CCC(C)CC)CC.CC=O.CCC.CN(C)C.
What is the InChIKey of acetaldehyde;N,N-dimethylmethanamine;(8Z,12Z)-9-ethyl-3,6,15,18-tetramethyl-7,10,11,14-tetramethylideneicosa-8,12-diene;propane?
The InChIKey is XIKNOSBLCCOHLR-NGCBZSCRSA-N. The full InChI is InChI=1S/C30H50.C3H9N.C3H8.C2H4O/c1-12-22(4)15-17-24(6)25(7)19-20-27(9)29(11)30(14-3)21-28(10)26(8)18-16-23(5)13-2;1-4(2)3;1-3-2;1-2-3/h19-24,26H,7,9-18H2,1-6,8H3;1-3H3;3H2,1-2H3;2H,1H3/b20-19-,30-21-;;;.
What are the key properties of acetaldehyde;N,N-dimethylmethanamine;(8Z,12Z)-9-ethyl-3,6,15,18-tetramethyl-7,10,11,14-tetramethylideneicosa-8,12-diene;propane?
acetaldehyde;N,N-dimethylmethanamine;(8Z,12Z)-9-ethyl-3,6,15,18-tetramethyl-7,10,11,14-tetramethylideneicosa-8,12-diene;propane has a molecular weight of 557.99 g/mol, XLogP of 11.83, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;N,N-dimethylmethanamine;(8Z,12Z)-9-ethyl-3,6,15,18-tetramethyl-7,10,11,14-tetramethylideneicosa-8,12-diene;propane is sourced from PubChem (CID 145235041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).