6-[2-(bromomethyl)prop-2-enoyloxy]hexyl 2-(bromomethyl)prop-2-enoate

C14H20Br2O4 — CID 162492547

IUPAC6-[2-(bromomethyl)prop-2-enoyloxy]hexyl 2-(bromomethyl)prop-2-enoate
SMILESC=C(CBr)C(=O)OCCCCCCOC(=O)C(=C)CBr
InChIInChI=1S/C14H20Br2O4/c1-11(9-15)13(17)19-7-5-3-4-6-8-20-14(18)12(2)10-16/h1-10H2
InChIKeyHORZOMCOFSQCGP-UHFFFAOYSA-N
MW412.12 g/mol
LogP3.54
Rot. Bonds11

About 6-[2-(bromomethyl)prop-2-enoyloxy]hexyl 2-(bromomethyl)prop-2-enoate

6-[2-(bromomethyl)prop-2-enoyloxy]hexyl 2-(bromomethyl)prop-2-enoate (PubChem CID 162492547) has the molecular formula C14H20Br2O4 and a molecular weight of 412.12 g/mol. Its IUPAC name is 6-[2-(bromomethyl)prop-2-enoyloxy]hexyl 2-(bromomethyl)prop-2-enoate.

Molecular Properties

Compound Name6-[2-(bromomethyl)prop-2-enoyloxy]hexyl 2-(bromomethyl)prop-2-enoate
PubChem CID162492547
Molecular FormulaC14H20Br2O4
Molecular Weight412.12 g/mol
Exact Mass409.97
IUPAC Name6-[2-(bromomethyl)prop-2-enoyloxy]hexyl 2-(bromomethyl)prop-2-enoate
SMILESC=C(CBr)C(=O)OCCCCCCOC(=O)C(=C)CBr
InChIInChI=1S/C14H20Br2O4/c1-11(9-15)13(17)19-7-5-3-4-6-8-20-14(18)12(2)10-16/h1-10H2
InChIKeyHORZOMCOFSQCGP-UHFFFAOYSA-N
XLogP3.54
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.12
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hexyl 2-methylidenebutanoate;2-methylprop-1-ene
CID 88842326
10-bromodecyl 2-methylprop-2-enoate
CID 15153821
nonyl 2-methylideneundecanoate
CID 142441213
octadecyl 2-methylideneicosanoate
CID 57219526
heptyl 2-methylideneundecanoate
CID 176549260
nonyl 2-methylidenepentanoate
CID 90751965
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
4-aminobutyl 6-amino-2-methylidenehexanoate
CID 57271260
hexyl 2-(2-methoxyethoxymethyl)prop-2-enoate
CID 102229803
dioctacosyl 2-methylidenebutanedioate
CID 175314352
12-prop-2-enoyloxydodecyl 2-methylidenebutanoate
CID 129103082
4-O-hexyl 1-O-octyl 2-methylidenebutanedioate
CID 174828394

Frequently Asked Questions

What is the IUPAC name of 6-[2-(bromomethyl)prop-2-enoyloxy]hexyl 2-(bromomethyl)prop-2-enoate?
The IUPAC name of 6-[2-(bromomethyl)prop-2-enoyloxy]hexyl 2-(bromomethyl)prop-2-enoate (CID 162492547) is 6-[2-(bromomethyl)prop-2-enoyloxy]hexyl 2-(bromomethyl)prop-2-enoate.
What is the SMILES notation for 6-[2-(bromomethyl)prop-2-enoyloxy]hexyl 2-(bromomethyl)prop-2-enoate?
The canonical SMILES for 6-[2-(bromomethyl)prop-2-enoyloxy]hexyl 2-(bromomethyl)prop-2-enoate is C=C(CBr)C(=O)OCCCCCCOC(=O)C(=C)CBr.
What is the InChIKey of 6-[2-(bromomethyl)prop-2-enoyloxy]hexyl 2-(bromomethyl)prop-2-enoate?
The InChIKey is HORZOMCOFSQCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2O4/c1-11(9-15)13(17)19-7-5-3-4-6-8-20-14(18)12(2)10-16/h1-10H2.
What are the key properties of 6-[2-(bromomethyl)prop-2-enoyloxy]hexyl 2-(bromomethyl)prop-2-enoate?
6-[2-(bromomethyl)prop-2-enoyloxy]hexyl 2-(bromomethyl)prop-2-enoate has a molecular weight of 412.12 g/mol, XLogP of 3.54, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(bromomethyl)prop-2-enoyloxy]hexyl 2-(bromomethyl)prop-2-enoate is sourced from PubChem (CID 162492547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).