[(2E,5Z)-2-(2-methoxyprop-2-enylidene)-7-methyl-3,4-dimethylideneocta-5,7-dienyl] formate

C16H20O3 — CID 145122593

IUPAC[(2E,5Z)-2-(2-methoxyprop-2-enylidene)-7-methyl-3,4-dimethylideneocta-5,7-dienyl] formate
SMILESC=C(C)/C=C\C(=C)C(=C)/C(=C\C(=C)OC)COC=O
InChIInChI=1S/C16H20O3/c1-12(2)7-8-13(3)15(5)16(10-19-11-17)9-14(4)18-6/h7-9,11H,1,3-5,10H2,2,6H3/b8-7-,16-9-
InChIKeyIEFAXKOYQKWJCI-JGXBLWBFSA-N
MW260.33 g/mol
LogP3.49
Rot. Bonds9

About [(2E,5Z)-2-(2-methoxyprop-2-enylidene)-7-methyl-3,4-dimethylideneocta-5,7-dienyl] formate

[(2E,5Z)-2-(2-methoxyprop-2-enylidene)-7-methyl-3,4-dimethylideneocta-5,7-dienyl] formate (PubChem CID 145122593) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is [(2E,5Z)-2-(2-methoxyprop-2-enylidene)-7-methyl-3,4-dimethylideneocta-5,7-dienyl] formate.

Molecular Properties

Compound Name[(2E,5Z)-2-(2-methoxyprop-2-enylidene)-7-methyl-3,4-dimethylideneocta-5,7-dienyl] formate
PubChem CID145122593
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name[(2E,5Z)-2-(2-methoxyprop-2-enylidene)-7-methyl-3,4-dimethylideneocta-5,7-dienyl] formate
SMILESC=C(C)/C=C\C(=C)C(=C)/C(=C\C(=C)OC)COC=O
InChIInChI=1S/C16H20O3/c1-12(2)7-8-13(3)15(5)16(10-19-11-17)9-14(4)18-6/h7-9,11H,1,3-5,10H2,2,6H3/b8-7-,16-9-
InChIKeyIEFAXKOYQKWJCI-JGXBLWBFSA-N
XLogP3.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.49
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2E,5Z)-2-(2-methoxyprop-2-enylidene)-7-methyl-3,4-dimethylideneocta-5,7-dienyl] formate?
The IUPAC name of [(2E,5Z)-2-(2-methoxyprop-2-enylidene)-7-methyl-3,4-dimethylideneocta-5,7-dienyl] formate (CID 145122593) is [(2E,5Z)-2-(2-methoxyprop-2-enylidene)-7-methyl-3,4-dimethylideneocta-5,7-dienyl] formate.
What is the SMILES notation for [(2E,5Z)-2-(2-methoxyprop-2-enylidene)-7-methyl-3,4-dimethylideneocta-5,7-dienyl] formate?
The canonical SMILES for [(2E,5Z)-2-(2-methoxyprop-2-enylidene)-7-methyl-3,4-dimethylideneocta-5,7-dienyl] formate is C=C(C)/C=C\C(=C)C(=C)/C(=C\C(=C)OC)COC=O.
What is the InChIKey of [(2E,5Z)-2-(2-methoxyprop-2-enylidene)-7-methyl-3,4-dimethylideneocta-5,7-dienyl] formate?
The InChIKey is IEFAXKOYQKWJCI-JGXBLWBFSA-N. The full InChI is InChI=1S/C16H20O3/c1-12(2)7-8-13(3)15(5)16(10-19-11-17)9-14(4)18-6/h7-9,11H,1,3-5,10H2,2,6H3/b8-7-,16-9-.
What are the key properties of [(2E,5Z)-2-(2-methoxyprop-2-enylidene)-7-methyl-3,4-dimethylideneocta-5,7-dienyl] formate?
[(2E,5Z)-2-(2-methoxyprop-2-enylidene)-7-methyl-3,4-dimethylideneocta-5,7-dienyl] formate has a molecular weight of 260.33 g/mol, XLogP of 3.49, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,5Z)-2-(2-methoxyprop-2-enylidene)-7-methyl-3,4-dimethylideneocta-5,7-dienyl] formate is sourced from PubChem (CID 145122593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).