ethane;(4Z,8Z)-8-ethyl-1-methoxy-4-(1-methoxyethenyl)-11,14,15,18-tetramethyl-6,7,10-trimethylidenenonadeca-4,8-diene;formaldehyde;prop-1-ene

C40H74O3 — CID 145122577

About ethane;(4Z,8Z)-8-ethyl-1-methoxy-4-(1-methoxyethenyl)-11,14,15,18-tetramethyl-6,7,10-trimethylidenenonadeca-4,8-diene;formaldehyde;prop-1-ene

ethane;(4Z,8Z)-8-ethyl-1-methoxy-4-(1-methoxyethenyl)-11,14,15,18-tetramethyl-6,7,10-trimethylidenenonadeca-4,8-diene;formaldehyde;prop-1-ene (PubChem CID 145122577) has the molecular formula C40H74O3 and a molecular weight of 603.03 g/mol. Its IUPAC name is ethane;(4Z,8Z)-8-ethyl-1-methoxy-4-(1-methoxyethenyl)-11,14,15,18-tetramethyl-6,7,10-trimethylidenenonadeca-4,8-diene;formaldehyde;prop-1-ene.

Molecular Properties

• Compound Name: ethane;(4Z,8Z)-8-ethyl-1-methoxy-4-(1-methoxyethenyl)-11,14,15,18-tetramethyl-6,7,10-trimethylidenenonadeca-4,8-diene;formaldehyde;prop-1-ene
• PubChem CID: 145122577
• Molecular Formula: C40H74O3
• Molecular Weight: 603.03 g/mol
• Exact Mass: 602.56
• IUPAC Name: ethane;(4Z,8Z)-8-ethyl-1-methoxy-4-(1-methoxyethenyl)-11,14,15,18-tetramethyl-6,7,10-trimethylidenenonadeca-4,8-diene;formaldehyde;prop-1-ene
• SMILES: C=C(/C=C(/CCCOC)C(=C)OC)C(=C)/C(=C\C(=C)C(C)CCC(C)C(C)CCC(C)C)CC.C=CC.C=O.CC.CC
• InChI: InChI=1S/C32H54O2.C3H6.2C2H6.CH2O/c1-13-31(29(9)28(8)22-32(30(10)34-12)15-14-20-33-11)21-27(7)26(6)19-18-25(5)24(4)17-16-23(2)3;1-3-2;3*1-2/h21-26H,7-10,13-20H2,1-6,11-12H3;3H,1H2,2H3;2*1-2H3;1H2/b31-21-,32-22-
• InChIKey: YQKSZSLGQUTYSZ-HJBQNVIJSA-N
• XLogP: 12.69
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 19
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.03
LogP ≤ 5	12.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;(4Z,8Z)-8-ethyl-1-methoxy-4-(1-methoxyethenyl)-11,14,15,18-tetramethyl-6,7,10-trimethylidenenonadeca-4,8-diene;formaldehyde;prop-1-ene?

The IUPAC name of ethane;(4Z,8Z)-8-ethyl-1-methoxy-4-(1-methoxyethenyl)-11,14,15,18-tetramethyl-6,7,10-trimethylidenenonadeca-4,8-diene;formaldehyde;prop-1-ene (CID 145122577) is ethane;(4Z,8Z)-8-ethyl-1-methoxy-4-(1-methoxyethenyl)-11,14,15,18-tetramethyl-6,7,10-trimethylidenenonadeca-4,8-diene;formaldehyde;prop-1-ene.

What is the SMILES notation for ethane;(4Z,8Z)-8-ethyl-1-methoxy-4-(1-methoxyethenyl)-11,14,15,18-tetramethyl-6,7,10-trimethylidenenonadeca-4,8-diene;formaldehyde;prop-1-ene?

The canonical SMILES for ethane;(4Z,8Z)-8-ethyl-1-methoxy-4-(1-methoxyethenyl)-11,14,15,18-tetramethyl-6,7,10-trimethylidenenonadeca-4,8-diene;formaldehyde;prop-1-ene is C=C(/C=C(/CCCOC)C(=C)OC)C(=C)/C(=C\C(=C)C(C)CCC(C)C(C)CCC(C)C)CC.C=CC.C=O.CC.CC.

What is the InChIKey of ethane;(4Z,8Z)-8-ethyl-1-methoxy-4-(1-methoxyethenyl)-11,14,15,18-tetramethyl-6,7,10-trimethylidenenonadeca-4,8-diene;formaldehyde;prop-1-ene?

The InChIKey is YQKSZSLGQUTYSZ-HJBQNVIJSA-N. The full InChI is InChI=1S/C32H54O2.C3H6.2C2H6.CH2O/c1-13-31(29(9)28(8)22-32(30(10)34-12)15-14-20-33-11)21-27(7)26(6)19-18-25(5)24(4)17-16-23(2)3;1-3-2;3*1-2/h21-26H,7-10,13-20H2,1-6,11-12H3;3H,1H2,2H3;2*1-2H3;1H2/b31-21-,32-22-;;;;.

What are the key properties of ethane;(4Z,8Z)-8-ethyl-1-methoxy-4-(1-methoxyethenyl)-11,14,15,18-tetramethyl-6,7,10-trimethylidenenonadeca-4,8-diene;formaldehyde;prop-1-ene?

ethane;(4Z,8Z)-8-ethyl-1-methoxy-4-(1-methoxyethenyl)-11,14,15,18-tetramethyl-6,7,10-trimethylidenenonadeca-4,8-diene;formaldehyde;prop-1-ene has a molecular weight of 603.03 g/mol, XLogP of 12.69, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;(4Z,8Z)-8-ethyl-1-methoxy-4-(1-methoxyethenyl)-11,14,15,18-tetramethyl-6,7,10-trimethylidenenonadeca-4,8-diene;formaldehyde;prop-1-ene is sourced from PubChem (CID 145122577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).