(3Z,7Z,15Z)-2-methoxy-16-(2-methoxyethyl)-7,10,13,14,17-pentamethyl-5,6,9-trimethylidenenonadeca-1,3,7,15-tetraene;2-methylprop-2-enal

C35H56O3 — CID 145122815

IUPAC(3Z,7Z,15Z)-2-methoxy-16-(2-methoxyethyl)-7,10,13,14,17-pentamethyl-5,6,9-trimethylidenenonadeca-1,3,7,15-tetraene;2-methylprop-2-enal
SMILESC=C(/C=C\C(=C)C(=C)/C(C)=C\C(=C)C(C)CCC(C)C(C)/C=C(/CCOC)C(C)CC)OC.C=C(C)C=O
InChIInChI=1S/C31H50O2.C4H6O/c1-13-22(2)31(18-19-32-11)21-27(7)24(4)15-14-23(3)26(6)20-28(8)30(10)25(5)16-17-29(9)33-12;1-4(2)3-5/h16-17,20-24,27H,5-6,9-10,13-15,18-19H2,1-4,7-8,11-12H3;3H,1H2,2H3/b17-16-,28-20-,31-21-;
InChIKeyPQGIAFLQIJOXRR-PTHLORSXSA-N
MW524.83 g/mol
LogP9.78
Rot. Bonds18

About (3Z,7Z,15Z)-2-methoxy-16-(2-methoxyethyl)-7,10,13,14,17-pentamethyl-5,6,9-trimethylidenenonadeca-1,3,7,15-tetraene;2-methylprop-2-enal

(3Z,7Z,15Z)-2-methoxy-16-(2-methoxyethyl)-7,10,13,14,17-pentamethyl-5,6,9-trimethylidenenonadeca-1,3,7,15-tetraene;2-methylprop-2-enal (PubChem CID 145122815) has the molecular formula C35H56O3 and a molecular weight of 524.83 g/mol. Its IUPAC name is (3Z,7Z,15Z)-2-methoxy-16-(2-methoxyethyl)-7,10,13,14,17-pentamethyl-5,6,9-trimethylidenenonadeca-1,3,7,15-tetraene;2-methylprop-2-enal.

Molecular Properties

Compound Name(3Z,7Z,15Z)-2-methoxy-16-(2-methoxyethyl)-7,10,13,14,17-pentamethyl-5,6,9-trimethylidenenonadeca-1,3,7,15-tetraene;2-methylprop-2-enal
PubChem CID145122815
Molecular FormulaC35H56O3
Molecular Weight524.83 g/mol
Exact Mass524.42
IUPAC Name(3Z,7Z,15Z)-2-methoxy-16-(2-methoxyethyl)-7,10,13,14,17-pentamethyl-5,6,9-trimethylidenenonadeca-1,3,7,15-tetraene;2-methylprop-2-enal
SMILESC=C(/C=C\C(=C)C(=C)/C(C)=C\C(=C)C(C)CCC(C)C(C)/C=C(/CCOC)C(C)CC)OC.C=C(C)C=O
InChIInChI=1S/C31H50O2.C4H6O/c1-13-22(2)31(18-19-32-11)21-27(7)24(4)15-14-23(3)26(6)20-28(8)30(10)25(5)16-17-29(9)33-12;1-4(2)3-5/h16-17,20-24,27H,5-6,9-10,13-15,18-19H2,1-4,7-8,11-12H3;3H,1H2,2H3/b17-16-,28-20-,31-21-;
InChIKeyPQGIAFLQIJOXRR-PTHLORSXSA-N
XLogP9.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.83
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z,7Z,15Z)-2-methoxy-16-(2-methoxyethyl)-7,10,13,14,17-pentamethyl-5,6,9-trimethylidenenonadeca-1,3,7,15-tetraene;2-methylprop-2-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z,7Z,15Z)-2-methoxy-16-(2-methoxyethyl)-7,10,13,14,17-pentamethyl-5,6,9-trimethylidenenonadeca-1,3,7,15-tetraene;2-methylprop-2-enal?
The IUPAC name of (3Z,7Z,15Z)-2-methoxy-16-(2-methoxyethyl)-7,10,13,14,17-pentamethyl-5,6,9-trimethylidenenonadeca-1,3,7,15-tetraene;2-methylprop-2-enal (CID 145122815) is (3Z,7Z,15Z)-2-methoxy-16-(2-methoxyethyl)-7,10,13,14,17-pentamethyl-5,6,9-trimethylidenenonadeca-1,3,7,15-tetraene;2-methylprop-2-enal.
What is the SMILES notation for (3Z,7Z,15Z)-2-methoxy-16-(2-methoxyethyl)-7,10,13,14,17-pentamethyl-5,6,9-trimethylidenenonadeca-1,3,7,15-tetraene;2-methylprop-2-enal?
The canonical SMILES for (3Z,7Z,15Z)-2-methoxy-16-(2-methoxyethyl)-7,10,13,14,17-pentamethyl-5,6,9-trimethylidenenonadeca-1,3,7,15-tetraene;2-methylprop-2-enal is C=C(/C=C\C(=C)C(=C)/C(C)=C\C(=C)C(C)CCC(C)C(C)/C=C(/CCOC)C(C)CC)OC.C=C(C)C=O.
What is the InChIKey of (3Z,7Z,15Z)-2-methoxy-16-(2-methoxyethyl)-7,10,13,14,17-pentamethyl-5,6,9-trimethylidenenonadeca-1,3,7,15-tetraene;2-methylprop-2-enal?
The InChIKey is PQGIAFLQIJOXRR-PTHLORSXSA-N. The full InChI is InChI=1S/C31H50O2.C4H6O/c1-13-22(2)31(18-19-32-11)21-27(7)24(4)15-14-23(3)26(6)20-28(8)30(10)25(5)16-17-29(9)33-12;1-4(2)3-5/h16-17,20-24,27H,5-6,9-10,13-15,18-19H2,1-4,7-8,11-12H3;3H,1H2,2H3/b17-16-,28-20-,31-21-;.
What are the key properties of (3Z,7Z,15Z)-2-methoxy-16-(2-methoxyethyl)-7,10,13,14,17-pentamethyl-5,6,9-trimethylidenenonadeca-1,3,7,15-tetraene;2-methylprop-2-enal?
(3Z,7Z,15Z)-2-methoxy-16-(2-methoxyethyl)-7,10,13,14,17-pentamethyl-5,6,9-trimethylidenenonadeca-1,3,7,15-tetraene;2-methylprop-2-enal has a molecular weight of 524.83 g/mol, XLogP of 9.78, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z,15Z)-2-methoxy-16-(2-methoxyethyl)-7,10,13,14,17-pentamethyl-5,6,9-trimethylidenenonadeca-1,3,7,15-tetraene;2-methylprop-2-enal is sourced from PubChem (CID 145122815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).