formaldehyde;(3Z,7Z)-2-methoxy-3-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;2-methylprop-1-ene

C22H34O3 — CID 145122161

IUPACformaldehyde;(3Z,7Z)-2-methoxy-3-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;2-methylprop-1-ene
SMILESC=C(C)/C=C\C(=C)C(=C)/C=C(\CCOC)C(=C)OC.C=C(C)C.C=O
InChIInChI=1S/C17H24O2.C4H8.CH2O/c1-13(2)8-9-14(3)15(4)12-17(10-11-18-6)16(5)19-7;1-4(2)3;1-2/h8-9,12H,1,3-5,10-11H2,2,6-7H3;1H2,2-3H3;1H2/b9-8-,17-12-;;
InChIKeyUMNOAFWZOLLSSZ-PXFCSZOSSA-N
MW346.51 g/mol
LogP5.75
Rot. Bonds9

About formaldehyde;(3Z,7Z)-2-methoxy-3-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;2-methylprop-1-ene

formaldehyde;(3Z,7Z)-2-methoxy-3-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;2-methylprop-1-ene (PubChem CID 145122161) has the molecular formula C22H34O3 and a molecular weight of 346.51 g/mol. Its IUPAC name is formaldehyde;(3Z,7Z)-2-methoxy-3-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;2-methylprop-1-ene.

Molecular Properties

Compound Nameformaldehyde;(3Z,7Z)-2-methoxy-3-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;2-methylprop-1-ene
PubChem CID145122161
Molecular FormulaC22H34O3
Molecular Weight346.51 g/mol
Exact Mass346.25
IUPAC Nameformaldehyde;(3Z,7Z)-2-methoxy-3-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;2-methylprop-1-ene
SMILESC=C(C)/C=C\C(=C)C(=C)/C=C(\CCOC)C(=C)OC.C=C(C)C.C=O
InChIInChI=1S/C17H24O2.C4H8.CH2O/c1-13(2)8-9-14(3)15(4)12-17(10-11-18-6)16(5)19-7;1-4(2)3;1-2/h8-9,12H,1,3-5,10-11H2,2,6-7H3;1H2,2-3H3;1H2/b9-8-,17-12-;;
InChIKeyUMNOAFWZOLLSSZ-PXFCSZOSSA-N
XLogP5.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.51
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3Z,7Z,11Z)-7,8-difluoro-2-methoxy-3-(2-methoxyethyl)-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene
CID 145122720
[(3Z,7E,11Z)-8-fluoro-3-(1-methoxyethenyl)-10,13-dimethyl-5,6,9-trimethylidenepentadeca-3,7,11-trienyl] formate
CID 145122857
(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-4,29-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
CID 88004951
3-butoxy-1-[(3E,5Z)-4-(methoxymethyl)hepta-1,3,5-trien-2-yl]oxycyclohexa-1,3-diene
CID 89150138
(3Z,5E)-3-ethoxy-4,5-bis(ethoxymethyl)-2-methylhepta-1,3,5-triene
CID 90125029
5-Ethoxy-6-methyl-3-[1-(3-methylocta-3,5,7-trien-4-yloxy)ethyl]hepta-1,3,5-triene
CID 123327845
6-[2-Methoxy-4-(methoxymethyl)-3-methylideneocta-1,4,6-trienyl]-2-methylcyclohexa-1,3-diene
CID 123885789
(3Z,5E)-5-methoxy-4-(2-methoxyethyl)-3-methylhepta-1,3,5-triene
CID 129189949
2,3-Bis(ethenoxymethyl)cyclohexa-1,3-diene
CID 130217267
(3E,5E)-4-(2-methylbutan-2-yloxymethyl)-5-[(2-methylpropan-2-yl)oxymethyl]octa-1,3,5,7-tetraene
CID 134402633
(3E,5E,7Z)-2,4,9-trimethoxy-5-(methoxymethylidene)-6-methylidenedeca-1,3,7,9-tetraene
CID 139498398
(3Z,4E,5E)-3,4-di(ethylidene)-5-methoxyhepta-1,5-diene;ethane
CID 141808602

Frequently Asked Questions

What is the IUPAC name of formaldehyde;(3Z,7Z)-2-methoxy-3-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;2-methylprop-1-ene?
The IUPAC name of formaldehyde;(3Z,7Z)-2-methoxy-3-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;2-methylprop-1-ene (CID 145122161) is formaldehyde;(3Z,7Z)-2-methoxy-3-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;2-methylprop-1-ene.
What is the SMILES notation for formaldehyde;(3Z,7Z)-2-methoxy-3-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;2-methylprop-1-ene?
The canonical SMILES for formaldehyde;(3Z,7Z)-2-methoxy-3-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;2-methylprop-1-ene is C=C(C)/C=C\C(=C)C(=C)/C=C(\CCOC)C(=C)OC.C=C(C)C.C=O.
What is the InChIKey of formaldehyde;(3Z,7Z)-2-methoxy-3-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;2-methylprop-1-ene?
The InChIKey is UMNOAFWZOLLSSZ-PXFCSZOSSA-N. The full InChI is InChI=1S/C17H24O2.C4H8.CH2O/c1-13(2)8-9-14(3)15(4)12-17(10-11-18-6)16(5)19-7;1-4(2)3;1-2/h8-9,12H,1,3-5,10-11H2,2,6-7H3;1H2,2-3H3;1H2/b9-8-,17-12-;;.
What are the key properties of formaldehyde;(3Z,7Z)-2-methoxy-3-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;2-methylprop-1-ene?
formaldehyde;(3Z,7Z)-2-methoxy-3-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;2-methylprop-1-ene has a molecular weight of 346.51 g/mol, XLogP of 5.75, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;(3Z,7Z)-2-methoxy-3-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;2-methylprop-1-ene is sourced from PubChem (CID 145122161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).