acetaldehyde;(3Z,7Z)-2-methoxy-3-(methoxymethyl)-7,10,13,14,17-pentamethyl-5,6,9-trimethylidenenonadeca-1,3,7-triene;prop-1-ene

C35H60O3 — CID 145122501

IUPACacetaldehyde;(3Z,7Z)-2-methoxy-3-(methoxymethyl)-7,10,13,14,17-pentamethyl-5,6,9-trimethylidenenonadeca-1,3,7-triene;prop-1-ene
SMILESC=C(/C=C(/COC)C(=C)OC)C(=C)/C(C)=C\C(=C)C(C)CCC(C)C(C)CCC(C)CC.C=CC.CC=O
InChIInChI=1S/C30H50O2.C3H6.C2H4O/c1-13-21(2)14-15-22(3)23(4)16-17-24(5)25(6)18-26(7)28(9)27(8)19-30(20-31-11)29(10)32-12;1-3-2;1-2-3/h18-19,21-24H,6,8-10,13-17,20H2,1-5,7,11-12H3;3H,1H2,2H3;2H,1H3/b26-18-,30-19-;;
InChIKeyNOTNYTVXVOCQTB-AHYFHQLFSA-N
MW528.86 g/mol
LogP10.25
Rot. Bonds17

About acetaldehyde;(3Z,7Z)-2-methoxy-3-(methoxymethyl)-7,10,13,14,17-pentamethyl-5,6,9-trimethylidenenonadeca-1,3,7-triene;prop-1-ene

acetaldehyde;(3Z,7Z)-2-methoxy-3-(methoxymethyl)-7,10,13,14,17-pentamethyl-5,6,9-trimethylidenenonadeca-1,3,7-triene;prop-1-ene (PubChem CID 145122501) has the molecular formula C35H60O3 and a molecular weight of 528.86 g/mol. Its IUPAC name is acetaldehyde;(3Z,7Z)-2-methoxy-3-(methoxymethyl)-7,10,13,14,17-pentamethyl-5,6,9-trimethylidenenonadeca-1,3,7-triene;prop-1-ene.

Molecular Properties

Compound Nameacetaldehyde;(3Z,7Z)-2-methoxy-3-(methoxymethyl)-7,10,13,14,17-pentamethyl-5,6,9-trimethylidenenonadeca-1,3,7-triene;prop-1-ene
PubChem CID145122501
Molecular FormulaC35H60O3
Molecular Weight528.86 g/mol
Exact Mass528.45
IUPAC Nameacetaldehyde;(3Z,7Z)-2-methoxy-3-(methoxymethyl)-7,10,13,14,17-pentamethyl-5,6,9-trimethylidenenonadeca-1,3,7-triene;prop-1-ene
SMILESC=C(/C=C(/COC)C(=C)OC)C(=C)/C(C)=C\C(=C)C(C)CCC(C)C(C)CCC(C)CC.C=CC.CC=O
InChIInChI=1S/C30H50O2.C3H6.C2H4O/c1-13-21(2)14-15-22(3)23(4)16-17-24(5)25(6)18-26(7)28(9)27(8)19-30(20-31-11)29(10)32-12;1-3-2;1-2-3/h18-19,21-24H,6,8-10,13-17,20H2,1-5,7,11-12H3;3H,1H2,2H3;2H,1H3/b26-18-,30-19-;;
InChIKeyNOTNYTVXVOCQTB-AHYFHQLFSA-N
XLogP10.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.86
LogP ≤ 510.25
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': 'polyene', 'substructure': 'N/A'}

Analyze acetaldehyde;(3Z,7Z)-2-methoxy-3-(methoxymethyl)-7,10,13,14,17-pentamethyl-5,6,9-trimethylidenenonadeca-1,3,7-triene;prop-1-ene 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 acetaldehyde;(3Z,7Z)-2-methoxy-3-(methoxymethyl)-7,10,13,14,17-pentamethyl-5,6,9-trimethylidenenonadeca-1,3,7-triene;prop-1-ene?
The IUPAC name of acetaldehyde;(3Z,7Z)-2-methoxy-3-(methoxymethyl)-7,10,13,14,17-pentamethyl-5,6,9-trimethylidenenonadeca-1,3,7-triene;prop-1-ene (CID 145122501) is acetaldehyde;(3Z,7Z)-2-methoxy-3-(methoxymethyl)-7,10,13,14,17-pentamethyl-5,6,9-trimethylidenenonadeca-1,3,7-triene;prop-1-ene.
What is the SMILES notation for acetaldehyde;(3Z,7Z)-2-methoxy-3-(methoxymethyl)-7,10,13,14,17-pentamethyl-5,6,9-trimethylidenenonadeca-1,3,7-triene;prop-1-ene?
The canonical SMILES for acetaldehyde;(3Z,7Z)-2-methoxy-3-(methoxymethyl)-7,10,13,14,17-pentamethyl-5,6,9-trimethylidenenonadeca-1,3,7-triene;prop-1-ene is C=C(/C=C(/COC)C(=C)OC)C(=C)/C(C)=C\C(=C)C(C)CCC(C)C(C)CCC(C)CC.C=CC.CC=O.
What is the InChIKey of acetaldehyde;(3Z,7Z)-2-methoxy-3-(methoxymethyl)-7,10,13,14,17-pentamethyl-5,6,9-trimethylidenenonadeca-1,3,7-triene;prop-1-ene?
The InChIKey is NOTNYTVXVOCQTB-AHYFHQLFSA-N. The full InChI is InChI=1S/C30H50O2.C3H6.C2H4O/c1-13-21(2)14-15-22(3)23(4)16-17-24(5)25(6)18-26(7)28(9)27(8)19-30(20-31-11)29(10)32-12;1-3-2;1-2-3/h18-19,21-24H,6,8-10,13-17,20H2,1-5,7,11-12H3;3H,1H2,2H3;2H,1H3/b26-18-,30-19-;;.
What are the key properties of acetaldehyde;(3Z,7Z)-2-methoxy-3-(methoxymethyl)-7,10,13,14,17-pentamethyl-5,6,9-trimethylidenenonadeca-1,3,7-triene;prop-1-ene?
acetaldehyde;(3Z,7Z)-2-methoxy-3-(methoxymethyl)-7,10,13,14,17-pentamethyl-5,6,9-trimethylidenenonadeca-1,3,7-triene;prop-1-ene has a molecular weight of 528.86 g/mol, XLogP of 10.25, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;(3Z,7Z)-2-methoxy-3-(methoxymethyl)-7,10,13,14,17-pentamethyl-5,6,9-trimethylidenenonadeca-1,3,7-triene;prop-1-ene is sourced from PubChem (CID 145122501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).