[2-methyl-1-(2-methylprop-2-enoyloxy)hexyl] 2-methylprop-2-enoate

C15H24O4 — CID 140570663

IUPAC[2-methyl-1-(2-methylprop-2-enoyloxy)hexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(OC(=O)C(=C)C)C(C)CCCC
InChIInChI=1S/C15H24O4/c1-7-8-9-12(6)15(18-13(16)10(2)3)19-14(17)11(4)5/h12,15H,2,4,7-9H2,1,3,5-6H3
InChIKeySRXWOCCYCVWSFA-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.38
Rot. Bonds8

About [2-methyl-1-(2-methylprop-2-enoyloxy)hexyl] 2-methylprop-2-enoate

[2-methyl-1-(2-methylprop-2-enoyloxy)hexyl] 2-methylprop-2-enoate (PubChem CID 140570663) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is [2-methyl-1-(2-methylprop-2-enoyloxy)hexyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-methyl-1-(2-methylprop-2-enoyloxy)hexyl] 2-methylprop-2-enoate
PubChem CID140570663
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name[2-methyl-1-(2-methylprop-2-enoyloxy)hexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(OC(=O)C(=C)C)C(C)CCCC
InChIInChI=1S/C15H24O4/c1-7-8-9-12(6)15(18-13(16)10(2)3)19-14(17)11(4)5/h12,15H,2,4,7-9H2,1,3,5-6H3
InChIKeySRXWOCCYCVWSFA-UHFFFAOYSA-N
XLogP3.38
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Propenoic acid, 2-methyl-, 2-methylhexyl ester
CID 108431
1-(2-Methylprop-2-enoyloxy)nonyl 2-methylprop-2-enoate
CID 17972293
Hexanediol dimethacrylate
CID 21863927
Butandiol dimethacrylate
CID 21868034
Decanediol dimethacrylate
CID 22136887
Isoheptyl methacrylate
CID 21850973
2-Methylpropylidene bismethacrylate
CID 44151802
1-[1-(2-Methylpropoxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 18421197
1-(1-Butoxyethoxy)ethyl 2-methylprop-2-enoate
CID 18421201
1-(2-Methylprop-2-enoyloxy)tetradecyl 2-methylprop-2-enoate
CID 18934134
1-(2-Methylprop-2-enoyloxy)pentadecyl 2-methylprop-2-enoate
CID 18934136
1-Butoxycarbonyloxyethyl 2-methylprop-2-enoate
CID 19063426

Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-(2-methylprop-2-enoyloxy)hexyl] 2-methylprop-2-enoate?
The IUPAC name of [2-methyl-1-(2-methylprop-2-enoyloxy)hexyl] 2-methylprop-2-enoate (CID 140570663) is [2-methyl-1-(2-methylprop-2-enoyloxy)hexyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-methyl-1-(2-methylprop-2-enoyloxy)hexyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-methyl-1-(2-methylprop-2-enoyloxy)hexyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(OC(=O)C(=C)C)C(C)CCCC.
What is the InChIKey of [2-methyl-1-(2-methylprop-2-enoyloxy)hexyl] 2-methylprop-2-enoate?
The InChIKey is SRXWOCCYCVWSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-7-8-9-12(6)15(18-13(16)10(2)3)19-14(17)11(4)5/h12,15H,2,4,7-9H2,1,3,5-6H3.
What are the key properties of [2-methyl-1-(2-methylprop-2-enoyloxy)hexyl] 2-methylprop-2-enoate?
[2-methyl-1-(2-methylprop-2-enoyloxy)hexyl] 2-methylprop-2-enoate has a molecular weight of 268.35 g/mol, XLogP of 3.38, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-(2-methylprop-2-enoyloxy)hexyl] 2-methylprop-2-enoate is sourced from PubChem (CID 140570663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).