formaldehyde;(4E,8Z)-4-(2-methoxyethoxy)-11,14-dimethyl-3,6,7,10-tetramethylidene-15-(2-methylpropoxy)hexadeca-4,8-diene;2-methylprop-1-ene

C34H58O4 — CID 145121994

IUPACformaldehyde;(4E,8Z)-4-(2-methoxyethoxy)-11,14-dimethyl-3,6,7,10-tetramethylidene-15-(2-methylpropoxy)hexadeca-4,8-diene;2-methylprop-1-ene
SMILESC=C(/C=C\C(=C)C(C)CCC(C)C(C)OCC(C)C)C(=C)/C=C(/OCCOC)C(=C)CC.C=C(C)C.C=O
InChIInChI=1S/C29H48O3.C4H8.CH2O/c1-12-22(4)29(31-18-17-30-11)19-27(9)25(7)14-13-23(5)24(6)15-16-26(8)28(10)32-20-21(2)3;1-4(2)3;1-2/h13-14,19,21,24,26,28H,4-5,7,9,12,15-18,20H2,1-3,6,8,10-11H3;1H2,2-3H3;1H2/b14-13-,29-19+;;
InChIKeyRWOFCCWJVWWNKX-FAIMZCIUSA-N
MW530.83 g/mol
LogP9.24
Rot. Bonds18

About formaldehyde;(4E,8Z)-4-(2-methoxyethoxy)-11,14-dimethyl-3,6,7,10-tetramethylidene-15-(2-methylpropoxy)hexadeca-4,8-diene;2-methylprop-1-ene

formaldehyde;(4E,8Z)-4-(2-methoxyethoxy)-11,14-dimethyl-3,6,7,10-tetramethylidene-15-(2-methylpropoxy)hexadeca-4,8-diene;2-methylprop-1-ene (PubChem CID 145121994) has the molecular formula C34H58O4 and a molecular weight of 530.83 g/mol. Its IUPAC name is formaldehyde;(4E,8Z)-4-(2-methoxyethoxy)-11,14-dimethyl-3,6,7,10-tetramethylidene-15-(2-methylpropoxy)hexadeca-4,8-diene;2-methylprop-1-ene.

Molecular Properties

Compound Nameformaldehyde;(4E,8Z)-4-(2-methoxyethoxy)-11,14-dimethyl-3,6,7,10-tetramethylidene-15-(2-methylpropoxy)hexadeca-4,8-diene;2-methylprop-1-ene
PubChem CID145121994
Molecular FormulaC34H58O4
Molecular Weight530.83 g/mol
Exact Mass530.43
IUPAC Nameformaldehyde;(4E,8Z)-4-(2-methoxyethoxy)-11,14-dimethyl-3,6,7,10-tetramethylidene-15-(2-methylpropoxy)hexadeca-4,8-diene;2-methylprop-1-ene
SMILESC=C(/C=C\C(=C)C(C)CCC(C)C(C)OCC(C)C)C(=C)/C=C(/OCCOC)C(=C)CC.C=C(C)C.C=O
InChIInChI=1S/C29H48O3.C4H8.CH2O/c1-12-22(4)29(31-18-17-30-11)19-27(9)25(7)14-13-23(5)24(6)15-16-26(8)28(10)32-20-21(2)3;1-4(2)3;1-2/h13-14,19,21,24,26,28H,4-5,7,9,12,15-18,20H2,1-3,6,8,10-11H3;1H2,2-3H3;1H2/b14-13-,29-19+;;
InChIKeyRWOFCCWJVWWNKX-FAIMZCIUSA-N
XLogP9.24
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.83
LogP ≤ 59.24
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;(4E,8Z)-4-(2-methoxyethoxy)-11,14-dimethyl-3,6,7,10-tetramethylidene-15-(2-methylpropoxy)hexadeca-4,8-diene;2-methylprop-1-ene?
The IUPAC name of formaldehyde;(4E,8Z)-4-(2-methoxyethoxy)-11,14-dimethyl-3,6,7,10-tetramethylidene-15-(2-methylpropoxy)hexadeca-4,8-diene;2-methylprop-1-ene (CID 145121994) is formaldehyde;(4E,8Z)-4-(2-methoxyethoxy)-11,14-dimethyl-3,6,7,10-tetramethylidene-15-(2-methylpropoxy)hexadeca-4,8-diene;2-methylprop-1-ene.
What is the SMILES notation for formaldehyde;(4E,8Z)-4-(2-methoxyethoxy)-11,14-dimethyl-3,6,7,10-tetramethylidene-15-(2-methylpropoxy)hexadeca-4,8-diene;2-methylprop-1-ene?
The canonical SMILES for formaldehyde;(4E,8Z)-4-(2-methoxyethoxy)-11,14-dimethyl-3,6,7,10-tetramethylidene-15-(2-methylpropoxy)hexadeca-4,8-diene;2-methylprop-1-ene is C=C(/C=C\C(=C)C(C)CCC(C)C(C)OCC(C)C)C(=C)/C=C(/OCCOC)C(=C)CC.C=C(C)C.C=O.
What is the InChIKey of formaldehyde;(4E,8Z)-4-(2-methoxyethoxy)-11,14-dimethyl-3,6,7,10-tetramethylidene-15-(2-methylpropoxy)hexadeca-4,8-diene;2-methylprop-1-ene?
The InChIKey is RWOFCCWJVWWNKX-FAIMZCIUSA-N. The full InChI is InChI=1S/C29H48O3.C4H8.CH2O/c1-12-22(4)29(31-18-17-30-11)19-27(9)25(7)14-13-23(5)24(6)15-16-26(8)28(10)32-20-21(2)3;1-4(2)3;1-2/h13-14,19,21,24,26,28H,4-5,7,9,12,15-18,20H2,1-3,6,8,10-11H3;1H2,2-3H3;1H2/b14-13-,29-19+;;.
What are the key properties of formaldehyde;(4E,8Z)-4-(2-methoxyethoxy)-11,14-dimethyl-3,6,7,10-tetramethylidene-15-(2-methylpropoxy)hexadeca-4,8-diene;2-methylprop-1-ene?
formaldehyde;(4E,8Z)-4-(2-methoxyethoxy)-11,14-dimethyl-3,6,7,10-tetramethylidene-15-(2-methylpropoxy)hexadeca-4,8-diene;2-methylprop-1-ene has a molecular weight of 530.83 g/mol, XLogP of 9.24, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;(4E,8Z)-4-(2-methoxyethoxy)-11,14-dimethyl-3,6,7,10-tetramethylidene-15-(2-methylpropoxy)hexadeca-4,8-diene;2-methylprop-1-ene is sourced from PubChem (CID 145121994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).