3,3-bis(2-methylprop-2-enoyloxy)nonan-2-yl 2-methylprop-2-enoate

C21H32O6 — CID 140537211

IUPAC3,3-bis(2-methylprop-2-enoyloxy)nonan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)C(CCCCCC)(OC(=O)C(=C)C)OC(=O)C(=C)C
InChIInChI=1S/C21H32O6/c1-9-10-11-12-13-21(26-19(23)15(4)5,27-20(24)16(6)7)17(8)25-18(22)14(2)3/h17H,2,4,6,9-13H2,1,3,5,7-8H3
InChIKeyHLVVPOMVYHCDSN-UHFFFAOYSA-N
MW380.48 g/mol
LogP4.40
Rot. Bonds12

About 3,3-bis(2-methylprop-2-enoyloxy)nonan-2-yl 2-methylprop-2-enoate

3,3-bis(2-methylprop-2-enoyloxy)nonan-2-yl 2-methylprop-2-enoate (PubChem CID 140537211) has the molecular formula C21H32O6 and a molecular weight of 380.48 g/mol. Its IUPAC name is 3,3-bis(2-methylprop-2-enoyloxy)nonan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3,3-bis(2-methylprop-2-enoyloxy)nonan-2-yl 2-methylprop-2-enoate
PubChem CID140537211
Molecular FormulaC21H32O6
Molecular Weight380.48 g/mol
Exact Mass380.22
IUPAC Name3,3-bis(2-methylprop-2-enoyloxy)nonan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)C(CCCCCC)(OC(=O)C(=C)C)OC(=O)C(=C)C
InChIInChI=1S/C21H32O6/c1-9-10-11-12-13-21(26-19(23)15(4)5,27-20(24)16(6)7)17(8)25-18(22)14(2)3/h17H,2,4,6,9-13H2,1,3,5,7-8H3
InChIKeyHLVVPOMVYHCDSN-UHFFFAOYSA-N
XLogP4.40
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Tridecyl methacrylate
CID 17234
Hexadecyl methacrylate
CID 17235
Tetradecyl methacrylate
CID 17351
1,10-Decamethylene dimethacrylate
CID 81196
Stearyl methacrylate
CID 122600
Pentadecyl methacrylate
CID 80232
Arachidyl methacrylate
CID 155040
12-(2-Methylprop-2-enoyloxy)dodecyl 2-methylprop-2-enoate
CID 175191
2-Propenoic acid, 2-methyl-, docosyl ester
CID 3034258
Nonamethylene Glycol Dimethacrylate (stabilized with MEHQ)
CID 21960809
Heptadecyl methacrylate
CID 80233
1-Methylheptyl methacrylate
CID 3017445

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(2-methylprop-2-enoyloxy)nonan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 3,3-bis(2-methylprop-2-enoyloxy)nonan-2-yl 2-methylprop-2-enoate (CID 140537211) is 3,3-bis(2-methylprop-2-enoyloxy)nonan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 3,3-bis(2-methylprop-2-enoyloxy)nonan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 3,3-bis(2-methylprop-2-enoyloxy)nonan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)C(CCCCCC)(OC(=O)C(=C)C)OC(=O)C(=C)C.
What is the InChIKey of 3,3-bis(2-methylprop-2-enoyloxy)nonan-2-yl 2-methylprop-2-enoate?
The InChIKey is HLVVPOMVYHCDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32O6/c1-9-10-11-12-13-21(26-19(23)15(4)5,27-20(24)16(6)7)17(8)25-18(22)14(2)3/h17H,2,4,6,9-13H2,1,3,5,7-8H3.
What are the key properties of 3,3-bis(2-methylprop-2-enoyloxy)nonan-2-yl 2-methylprop-2-enoate?
3,3-bis(2-methylprop-2-enoyloxy)nonan-2-yl 2-methylprop-2-enoate has a molecular weight of 380.48 g/mol, XLogP of 4.40, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(2-methylprop-2-enoyloxy)nonan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 140537211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).