2-methyl-9-(prop-1-en-2-yloxymethoxy)-8-(prop-1-en-2-yloxymethoxymethyl)non-1-ene

C19H34O4 — CID 23571747

IUPAC2-methyl-9-(prop-1-en-2-yloxymethoxy)-8-(prop-1-en-2-yloxymethoxymethyl)non-1-ene
SMILESC=C(C)CCCCCC(COCOC(=C)C)COCOC(=C)C
InChIInChI=1S/C19H34O4/c1-16(2)10-8-7-9-11-19(12-20-14-22-17(3)4)13-21-15-23-18(5)6/h19H,1,3,5,7-15H2,2,4,6H3
InChIKeyMDQCNXDLWLGETM-UHFFFAOYSA-N
MW326.48 g/mol
LogP5.18
Rot. Bonds16

About 2-methyl-9-(prop-1-en-2-yloxymethoxy)-8-(prop-1-en-2-yloxymethoxymethyl)non-1-ene

2-methyl-9-(prop-1-en-2-yloxymethoxy)-8-(prop-1-en-2-yloxymethoxymethyl)non-1-ene (PubChem CID 23571747) has the molecular formula C19H34O4 and a molecular weight of 326.48 g/mol. Its IUPAC name is 2-methyl-9-(prop-1-en-2-yloxymethoxy)-8-(prop-1-en-2-yloxymethoxymethyl)non-1-ene.

Molecular Properties

Compound Name2-methyl-9-(prop-1-en-2-yloxymethoxy)-8-(prop-1-en-2-yloxymethoxymethyl)non-1-ene
PubChem CID23571747
Molecular FormulaC19H34O4
Molecular Weight326.48 g/mol
Exact Mass326.25
IUPAC Name2-methyl-9-(prop-1-en-2-yloxymethoxy)-8-(prop-1-en-2-yloxymethoxymethyl)non-1-ene
SMILESC=C(C)CCCCCC(COCOC(=C)C)COCOC(=C)C
InChIInChI=1S/C19H34O4/c1-16(2)10-8-7-9-11-19(12-20-14-22-17(3)4)13-21-15-23-18(5)6/h19H,1,3,5,7-15H2,2,4,6H3
InChIKeyMDQCNXDLWLGETM-UHFFFAOYSA-N
XLogP5.18
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 55.18
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

8-Methyl-2-(prop-1-en-2-yloxymethoxymethyl)non-8-en-1-ol
CID 23571726
2,14-Dimethyl-8,8-bis(prop-1-en-2-yloxymethoxymethyl)pentadeca-1,14-diene
CID 23571745
2-Methyl-9-[2-(prop-1-en-2-yloxymethoxy)ethoxy]-8,8-bis[2-(prop-1-en-2-yloxymethoxy)ethoxymethyl]non-1-ene
CID 23571746
2-(Heptoxymethoxy)-9-methyldec-1-ene
CID 53782806
5-(6-Methyl-5-methylideneheptyl)-2,2-dioctadecyl-1,3-dioxane
CID 123714454
2,2-Dimethyl-4-(5,9,13-trimethyltetradecyl)-1,3-dioxole
CID 141426026
3-[Tris(4-methoxybutan-2-yloxy)methyl]undec-1-ene
CID 150011307
3-[Tris(ethoxymethoxy)methyl]undec-1-ene
CID 150987711
3-[Tris(3-methoxypropoxy)methyl]undec-1-ene
CID 151233994
3-(1,1-Diethoxyethyl)-2-methylundec-1-ene
CID 151940396

Frequently Asked Questions

What is the IUPAC name of 2-methyl-9-(prop-1-en-2-yloxymethoxy)-8-(prop-1-en-2-yloxymethoxymethyl)non-1-ene?
The IUPAC name of 2-methyl-9-(prop-1-en-2-yloxymethoxy)-8-(prop-1-en-2-yloxymethoxymethyl)non-1-ene (CID 23571747) is 2-methyl-9-(prop-1-en-2-yloxymethoxy)-8-(prop-1-en-2-yloxymethoxymethyl)non-1-ene.
What is the SMILES notation for 2-methyl-9-(prop-1-en-2-yloxymethoxy)-8-(prop-1-en-2-yloxymethoxymethyl)non-1-ene?
The canonical SMILES for 2-methyl-9-(prop-1-en-2-yloxymethoxy)-8-(prop-1-en-2-yloxymethoxymethyl)non-1-ene is C=C(C)CCCCCC(COCOC(=C)C)COCOC(=C)C.
What is the InChIKey of 2-methyl-9-(prop-1-en-2-yloxymethoxy)-8-(prop-1-en-2-yloxymethoxymethyl)non-1-ene?
The InChIKey is MDQCNXDLWLGETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O4/c1-16(2)10-8-7-9-11-19(12-20-14-22-17(3)4)13-21-15-23-18(5)6/h19H,1,3,5,7-15H2,2,4,6H3.
What are the key properties of 2-methyl-9-(prop-1-en-2-yloxymethoxy)-8-(prop-1-en-2-yloxymethoxymethyl)non-1-ene?
2-methyl-9-(prop-1-en-2-yloxymethoxy)-8-(prop-1-en-2-yloxymethoxymethyl)non-1-ene has a molecular weight of 326.48 g/mol, XLogP of 5.18, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9-(prop-1-en-2-yloxymethoxy)-8-(prop-1-en-2-yloxymethoxymethyl)non-1-ene is sourced from PubChem (CID 23571747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).