[7-methyl-8-(2-methylbut-2-enoyloxy)octyl] 2-methylbut-2-enoate

C19H32O4 — CID 91245121

IUPAC[7-methyl-8-(2-methylbut-2-enoyloxy)octyl] 2-methylbut-2-enoate
SMILESCC=C(C)C(=O)OCCCCCCC(C)COC(=O)C(C)=CC
InChIInChI=1S/C19H32O4/c1-6-16(4)18(20)22-13-11-9-8-10-12-15(3)14-23-19(21)17(5)7-2/h6-7,15H,8-14H2,1-5H3
InChIKeyRWWAIVATPNKZKZ-UHFFFAOYSA-N
MW324.46 g/mol
LogP4.59
Rot. Bonds11

About [7-methyl-8-(2-methylbut-2-enoyloxy)octyl] 2-methylbut-2-enoate

[7-methyl-8-(2-methylbut-2-enoyloxy)octyl] 2-methylbut-2-enoate (PubChem CID 91245121) has the molecular formula C19H32O4 and a molecular weight of 324.46 g/mol. Its IUPAC name is [7-methyl-8-(2-methylbut-2-enoyloxy)octyl] 2-methylbut-2-enoate.

Molecular Properties

Compound Name[7-methyl-8-(2-methylbut-2-enoyloxy)octyl] 2-methylbut-2-enoate
PubChem CID91245121
Molecular FormulaC19H32O4
Molecular Weight324.46 g/mol
Exact Mass324.23
IUPAC Name[7-methyl-8-(2-methylbut-2-enoyloxy)octyl] 2-methylbut-2-enoate
SMILESCC=C(C)C(=O)OCCCCCCC(C)COC(=O)C(C)=CC
InChIInChI=1S/C19H32O4/c1-6-16(4)18(20)22-13-11-9-8-10-12-15(3)14-23-19(21)17(5)7-2/h6-7,15H,8-14H2,1-5H3
InChIKeyRWWAIVATPNKZKZ-UHFFFAOYSA-N
XLogP4.59
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-2-methylbutyl] (Z)-2-methylbut-2-enoate
CID 92973620
undecyl (E)-2-methylbut-2-enoate
CID 91701896
[2-methyl-3-(2-methylpropanoyloxy)propyl] 2-methylbut-2-enoate
CID 163045211
undec-10-enyl (E)-2-methylbut-2-enoate
CID 91701288
hexadecyl 2,4-dimethyltetradec-2-enoate
CID 174832460
bis(14-methylpentadecyl) oxalate
CID 88541014
azane;3-hydroxypropyl 2-methylbut-2-enoate;hydrochloride
CID 173093194
2-methylprop-2-enoic acid;octadecyl 2-methylbut-2-enoate
CID 173433253
[(8S)-8-methyldecyl] acetate
CID 139653084
[(14R)-14-methylhexadecyl] acetate
CID 102479954
[(E)-non-5-enyl] (E)-2-methylbut-2-enoate
CID 102116658
[(E)-oct-5-enyl] (E)-2-methylbut-2-enoate
CID 102116652

Frequently Asked Questions

What is the IUPAC name of [7-methyl-8-(2-methylbut-2-enoyloxy)octyl] 2-methylbut-2-enoate?
The IUPAC name of [7-methyl-8-(2-methylbut-2-enoyloxy)octyl] 2-methylbut-2-enoate (CID 91245121) is [7-methyl-8-(2-methylbut-2-enoyloxy)octyl] 2-methylbut-2-enoate.
What is the SMILES notation for [7-methyl-8-(2-methylbut-2-enoyloxy)octyl] 2-methylbut-2-enoate?
The canonical SMILES for [7-methyl-8-(2-methylbut-2-enoyloxy)octyl] 2-methylbut-2-enoate is CC=C(C)C(=O)OCCCCCCC(C)COC(=O)C(C)=CC.
What is the InChIKey of [7-methyl-8-(2-methylbut-2-enoyloxy)octyl] 2-methylbut-2-enoate?
The InChIKey is RWWAIVATPNKZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O4/c1-6-16(4)18(20)22-13-11-9-8-10-12-15(3)14-23-19(21)17(5)7-2/h6-7,15H,8-14H2,1-5H3.
What are the key properties of [7-methyl-8-(2-methylbut-2-enoyloxy)octyl] 2-methylbut-2-enoate?
[7-methyl-8-(2-methylbut-2-enoyloxy)octyl] 2-methylbut-2-enoate has a molecular weight of 324.46 g/mol, XLogP of 4.59, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-methyl-8-(2-methylbut-2-enoyloxy)octyl] 2-methylbut-2-enoate is sourced from PubChem (CID 91245121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).