8-methylnonyl 2-(prop-2-enoxymethyl)prop-2-enoate

C17H30O3 — CID 165388739

IUPAC8-methylnonyl 2-(prop-2-enoxymethyl)prop-2-enoate
SMILESC=CCOCC(=C)C(=O)OCCCCCCCC(C)C
InChIInChI=1S/C17H30O3/c1-5-12-19-14-16(4)17(18)20-13-10-8-6-7-9-11-15(2)3/h5,15H,1,4,6-14H2,2-3H3
InChIKeyJDUNIKKIVKDVLD-UHFFFAOYSA-N
MW282.42 g/mol
LogP4.28
Rot. Bonds13

About 8-methylnonyl 2-(prop-2-enoxymethyl)prop-2-enoate

8-methylnonyl 2-(prop-2-enoxymethyl)prop-2-enoate (PubChem CID 165388739) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is 8-methylnonyl 2-(prop-2-enoxymethyl)prop-2-enoate.

Molecular Properties

Compound Name8-methylnonyl 2-(prop-2-enoxymethyl)prop-2-enoate
PubChem CID165388739
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name8-methylnonyl 2-(prop-2-enoxymethyl)prop-2-enoate
SMILESC=CCOCC(=C)C(=O)OCCCCCCCC(C)C
InChIInChI=1S/C17H30O3/c1-5-12-19-14-16(4)17(18)20-13-10-8-6-7-9-11-15(2)3/h5,15H,1,4,6-14H2,2-3H3
InChIKeyJDUNIKKIVKDVLD-UHFFFAOYSA-N
XLogP4.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

8-methylnonyl 2-[2-(8-methylnonoxycarbonyl)prop-2-enoxymethyl]prop-2-enoate
CID 165388741
dodecyl 2-(prop-2-enoxymethyl)prop-2-enoate
CID 87095136
bis(7-methyloctyl) 2-methylidenebutanedioate
CID 89414973
3-(16-methylheptadecoxycarbonyl)but-3-enoic acid
CID 90733703
bis(14-methylpentadecyl) oxalate
CID 88541014
3-(6-methylheptoxycarbonyl)-2-methylidenebut-3-enoic acid
CID 139747803
6-methylheptyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 175749007
pentan-2-yl 2-(prop-2-enoxymethyl)prop-2-enoate
CID 134229849
butyl 2-methylprop-2-enoate;6-methylheptyl prop-2-enoate
CID 175726078
bis(8-methylnonyl) carbonate
CID 23302119
bis(4-methylpentyl) oxalate
CID 6420411
pentyl 5-methyl-2-methylidenehexanoate
CID 175083218

Frequently Asked Questions

What is the IUPAC name of 8-methylnonyl 2-(prop-2-enoxymethyl)prop-2-enoate?
The IUPAC name of 8-methylnonyl 2-(prop-2-enoxymethyl)prop-2-enoate (CID 165388739) is 8-methylnonyl 2-(prop-2-enoxymethyl)prop-2-enoate.
What is the SMILES notation for 8-methylnonyl 2-(prop-2-enoxymethyl)prop-2-enoate?
The canonical SMILES for 8-methylnonyl 2-(prop-2-enoxymethyl)prop-2-enoate is C=CCOCC(=C)C(=O)OCCCCCCCC(C)C.
What is the InChIKey of 8-methylnonyl 2-(prop-2-enoxymethyl)prop-2-enoate?
The InChIKey is JDUNIKKIVKDVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3/c1-5-12-19-14-16(4)17(18)20-13-10-8-6-7-9-11-15(2)3/h5,15H,1,4,6-14H2,2-3H3.
What are the key properties of 8-methylnonyl 2-(prop-2-enoxymethyl)prop-2-enoate?
8-methylnonyl 2-(prop-2-enoxymethyl)prop-2-enoate has a molecular weight of 282.42 g/mol, XLogP of 4.28, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylnonyl 2-(prop-2-enoxymethyl)prop-2-enoate is sourced from PubChem (CID 165388739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).