formaldehyde;(3E,7Z)-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;2-methylprop-1-ene

C28H46O4 — CID 145122368

IUPACformaldehyde;(3E,7Z)-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;2-methylprop-1-ene
SMILESC=C(/C=C\C(=C)C(C)CCC(C)C)C(=C)/C=C(\OCCOC)C(=C)OC.C=C(C)C.C=O
InChIInChI=1S/C23H36O3.C4H8.CH2O/c1-17(2)10-11-18(3)19(4)12-13-20(5)21(6)16-23(22(7)25-9)26-15-14-24-8;1-4(2)3;1-2/h12-13,16-18H,4-7,10-11,14-15H2,1-3,8-9H3;1H2,2-3H3;1H2/b13-12-,23-16+;;
InChIKeyYVXVDYGFKNFMFZ-STMACIQMSA-N
MW446.67 g/mol
LogP7.39
Rot. Bonds14

About formaldehyde;(3E,7Z)-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;2-methylprop-1-ene

formaldehyde;(3E,7Z)-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;2-methylprop-1-ene (PubChem CID 145122368) has the molecular formula C28H46O4 and a molecular weight of 446.67 g/mol. Its IUPAC name is formaldehyde;(3E,7Z)-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;2-methylprop-1-ene.

Molecular Properties

Compound Nameformaldehyde;(3E,7Z)-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;2-methylprop-1-ene
PubChem CID145122368
Molecular FormulaC28H46O4
Molecular Weight446.67 g/mol
Exact Mass446.34
IUPAC Nameformaldehyde;(3E,7Z)-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;2-methylprop-1-ene
SMILESC=C(/C=C\C(=C)C(C)CCC(C)C)C(=C)/C=C(\OCCOC)C(=C)OC.C=C(C)C.C=O
InChIInChI=1S/C23H36O3.C4H8.CH2O/c1-17(2)10-11-18(3)19(4)12-13-20(5)21(6)16-23(22(7)25-9)26-15-14-24-8;1-4(2)3;1-2/h12-13,16-18H,4-7,10-11,14-15H2,1-3,8-9H3;1H2,2-3H3;1H2/b13-12-,23-16+;;
InChIKeyYVXVDYGFKNFMFZ-STMACIQMSA-N
XLogP7.39
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.67
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;(3E,7Z)-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;2-methylprop-1-ene?
The IUPAC name of formaldehyde;(3E,7Z)-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;2-methylprop-1-ene (CID 145122368) is formaldehyde;(3E,7Z)-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;2-methylprop-1-ene.
What is the SMILES notation for formaldehyde;(3E,7Z)-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;2-methylprop-1-ene?
The canonical SMILES for formaldehyde;(3E,7Z)-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;2-methylprop-1-ene is C=C(/C=C\C(=C)C(C)CCC(C)C)C(=C)/C=C(\OCCOC)C(=C)OC.C=C(C)C.C=O.
What is the InChIKey of formaldehyde;(3E,7Z)-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;2-methylprop-1-ene?
The InChIKey is YVXVDYGFKNFMFZ-STMACIQMSA-N. The full InChI is InChI=1S/C23H36O3.C4H8.CH2O/c1-17(2)10-11-18(3)19(4)12-13-20(5)21(6)16-23(22(7)25-9)26-15-14-24-8;1-4(2)3;1-2/h12-13,16-18H,4-7,10-11,14-15H2,1-3,8-9H3;1H2,2-3H3;1H2/b13-12-,23-16+;;.
What are the key properties of formaldehyde;(3E,7Z)-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;2-methylprop-1-ene?
formaldehyde;(3E,7Z)-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;2-methylprop-1-ene has a molecular weight of 446.67 g/mol, XLogP of 7.39, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;(3E,7Z)-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;2-methylprop-1-ene is sourced from PubChem (CID 145122368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).