2-(2-methylpent-4-enoyloxy)hexyl 2-methylpent-4-enoate

C18H30O4 — CID 71464884

IUPAC2-(2-methylpent-4-enoyloxy)hexyl 2-methylpent-4-enoate
SMILESC=CCC(C)C(=O)OCC(CCCC)OC(=O)C(C)CC=C
InChIInChI=1S/C18H30O4/c1-6-9-12-16(22-18(20)15(5)11-8-3)13-21-17(19)14(4)10-7-2/h7-8,14-16H,2-3,6,9-13H2,1,4-5H3
InChIKeyLQYAYLUQTSKJBH-UHFFFAOYSA-N
MW310.43 g/mol
LogP4.06
Rot. Bonds12

About 2-(2-methylpent-4-enoyloxy)hexyl 2-methylpent-4-enoate

2-(2-methylpent-4-enoyloxy)hexyl 2-methylpent-4-enoate (PubChem CID 71464884) has the molecular formula C18H30O4 and a molecular weight of 310.43 g/mol. Its IUPAC name is 2-(2-methylpent-4-enoyloxy)hexyl 2-methylpent-4-enoate.

Molecular Properties

Compound Name2-(2-methylpent-4-enoyloxy)hexyl 2-methylpent-4-enoate
PubChem CID71464884
Molecular FormulaC18H30O4
Molecular Weight310.43 g/mol
Exact Mass310.21
IUPAC Name2-(2-methylpent-4-enoyloxy)hexyl 2-methylpent-4-enoate
SMILESC=CCC(C)C(=O)OCC(CCCC)OC(=O)C(C)CC=C
InChIInChI=1S/C18H30O4/c1-6-9-12-16(22-18(20)15(5)11-8-3)13-21-17(19)14(4)10-7-2/h7-8,14-16H,2-3,6,9-13H2,1,4-5H3
InChIKeyLQYAYLUQTSKJBH-UHFFFAOYSA-N
XLogP4.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-methylpent-4-enoyloxy)hexyl 2-methylpent-4-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Hexyl 2-methyl-4-pentenoate
CID 57351134
Adipic acid, isohexyl pent-4-enyl ester
CID 91713321
Adipic acid, isobutyl pent-4-en-2-yl ester
CID 91713854
Adipic acid, isohexyl pent-4-en-2-yl ester
CID 91713960
Oct-7-en-2-yl 4-methylhex-5-enoate
CID 162413116
Oct-7-en-2-yl 2-methylhex-5-enoate
CID 162414976
5-Methylhept-6-en-2-yl pent-4-enoate
CID 102227234
Oct-7-en-4-yl 2-methylbutanoate
CID 18783434
[2-(2-Methylbut-3-enoyloxy)cyclohexyl] 2-methylbut-3-enoate
CID 24958286
[2-(2-Methylpent-4-enoyloxy)cyclohexyl] 2-methylpent-4-enoate
CID 24958647
[2-(3-Methylpent-4-enoyloxy)cyclohexyl] 3-methylpent-4-enoate
CID 24959016
(2-Pent-4-enoyloxycyclohexyl) pent-4-enoate
CID 24959381

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpent-4-enoyloxy)hexyl 2-methylpent-4-enoate?
The IUPAC name of 2-(2-methylpent-4-enoyloxy)hexyl 2-methylpent-4-enoate (CID 71464884) is 2-(2-methylpent-4-enoyloxy)hexyl 2-methylpent-4-enoate.
What is the SMILES notation for 2-(2-methylpent-4-enoyloxy)hexyl 2-methylpent-4-enoate?
The canonical SMILES for 2-(2-methylpent-4-enoyloxy)hexyl 2-methylpent-4-enoate is C=CCC(C)C(=O)OCC(CCCC)OC(=O)C(C)CC=C.
What is the InChIKey of 2-(2-methylpent-4-enoyloxy)hexyl 2-methylpent-4-enoate?
The InChIKey is LQYAYLUQTSKJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O4/c1-6-9-12-16(22-18(20)15(5)11-8-3)13-21-17(19)14(4)10-7-2/h7-8,14-16H,2-3,6,9-13H2,1,4-5H3.
What are the key properties of 2-(2-methylpent-4-enoyloxy)hexyl 2-methylpent-4-enoate?
2-(2-methylpent-4-enoyloxy)hexyl 2-methylpent-4-enoate has a molecular weight of 310.43 g/mol, XLogP of 4.06, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpent-4-enoyloxy)hexyl 2-methylpent-4-enoate is sourced from PubChem (CID 71464884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).