(8E)-11-ethyl-2-(methoxymethyl)-4,7,8-trimethyltrideca-8,10-dien-1-ol;2-methylprop-2-enal

C24H44O3 — CID 142282398

IUPAC(8E)-11-ethyl-2-(methoxymethyl)-4,7,8-trimethyltrideca-8,10-dien-1-ol;2-methylprop-2-enal
SMILESC=C(C)C=O.CCC(=C/C=C(\C)C(C)CCC(C)CC(CO)COC)CC
InChIInChI=1S/C20H38O2.C4H6O/c1-7-19(8-2)12-11-18(5)17(4)10-9-16(3)13-20(14-21)15-22-6;1-4(2)3-5/h11-12,16-17,20-21H,7-10,13-15H2,1-6H3;3H,1H2,2H3/b18-11+;
InChIKeyXHZMKFNODHWZMN-NWBUNABESA-N
MW380.61 g/mol
LogP6.14
Rot. Bonds13

About (8E)-11-ethyl-2-(methoxymethyl)-4,7,8-trimethyltrideca-8,10-dien-1-ol;2-methylprop-2-enal

(8E)-11-ethyl-2-(methoxymethyl)-4,7,8-trimethyltrideca-8,10-dien-1-ol;2-methylprop-2-enal (PubChem CID 142282398) has the molecular formula C24H44O3 and a molecular weight of 380.61 g/mol. Its IUPAC name is (8E)-11-ethyl-2-(methoxymethyl)-4,7,8-trimethyltrideca-8,10-dien-1-ol;2-methylprop-2-enal.

Molecular Properties

Compound Name(8E)-11-ethyl-2-(methoxymethyl)-4,7,8-trimethyltrideca-8,10-dien-1-ol;2-methylprop-2-enal
PubChem CID142282398
Molecular FormulaC24H44O3
Molecular Weight380.61 g/mol
Exact Mass380.33
IUPAC Name(8E)-11-ethyl-2-(methoxymethyl)-4,7,8-trimethyltrideca-8,10-dien-1-ol;2-methylprop-2-enal
SMILESC=C(C)C=O.CCC(=C/C=C(\C)C(C)CCC(C)CC(CO)COC)CC
InChIInChI=1S/C20H38O2.C4H6O/c1-7-19(8-2)12-11-18(5)17(4)10-9-16(3)13-20(14-21)15-22-6;1-4(2)3-5/h11-12,16-17,20-21H,7-10,13-15H2,1-6H3;3H,1H2,2H3/b18-11+;
InChIKeyXHZMKFNODHWZMN-NWBUNABESA-N
XLogP6.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.61
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (8E)-11-ethyl-2-(methoxymethyl)-4,7,8-trimethyltrideca-8,10-dien-1-ol;2-methylprop-2-enal with MolForge

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Related Compounds

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CID 142282835
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CID 145122813
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2-methyl(113C)prop-2-enal
CID 71749931
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CID 20663748
2-ethyl-4-methylnonan-1-ol
CID 21358744
[2-(hydroxymethyl)-3-methoxypropyl]azanium
CID 163541121
4-ethyl-2,6-dimethylnon-1-ene
CID 90949298

Frequently Asked Questions

What is the IUPAC name of (8E)-11-ethyl-2-(methoxymethyl)-4,7,8-trimethyltrideca-8,10-dien-1-ol;2-methylprop-2-enal?
The IUPAC name of (8E)-11-ethyl-2-(methoxymethyl)-4,7,8-trimethyltrideca-8,10-dien-1-ol;2-methylprop-2-enal (CID 142282398) is (8E)-11-ethyl-2-(methoxymethyl)-4,7,8-trimethyltrideca-8,10-dien-1-ol;2-methylprop-2-enal.
What is the SMILES notation for (8E)-11-ethyl-2-(methoxymethyl)-4,7,8-trimethyltrideca-8,10-dien-1-ol;2-methylprop-2-enal?
The canonical SMILES for (8E)-11-ethyl-2-(methoxymethyl)-4,7,8-trimethyltrideca-8,10-dien-1-ol;2-methylprop-2-enal is C=C(C)C=O.CCC(=C/C=C(\C)C(C)CCC(C)CC(CO)COC)CC.
What is the InChIKey of (8E)-11-ethyl-2-(methoxymethyl)-4,7,8-trimethyltrideca-8,10-dien-1-ol;2-methylprop-2-enal?
The InChIKey is XHZMKFNODHWZMN-NWBUNABESA-N. The full InChI is InChI=1S/C20H38O2.C4H6O/c1-7-19(8-2)12-11-18(5)17(4)10-9-16(3)13-20(14-21)15-22-6;1-4(2)3-5/h11-12,16-17,20-21H,7-10,13-15H2,1-6H3;3H,1H2,2H3/b18-11+;.
What are the key properties of (8E)-11-ethyl-2-(methoxymethyl)-4,7,8-trimethyltrideca-8,10-dien-1-ol;2-methylprop-2-enal?
(8E)-11-ethyl-2-(methoxymethyl)-4,7,8-trimethyltrideca-8,10-dien-1-ol;2-methylprop-2-enal has a molecular weight of 380.61 g/mol, XLogP of 6.14, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-11-ethyl-2-(methoxymethyl)-4,7,8-trimethyltrideca-8,10-dien-1-ol;2-methylprop-2-enal is sourced from PubChem (CID 142282398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).