4-(2-methoxypropan-2-yloxy)butyl 2-methylprop-2-enoate

C12H22O4 — CID 139724088

IUPAC4-(2-methoxypropan-2-yloxy)butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCOC(C)(C)OC
InChIInChI=1S/C12H22O4/c1-10(2)11(13)15-8-6-7-9-16-12(3,4)14-5/h1,6-9H2,2-5H3
InChIKeyZHEVVDNHVWZNLD-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.29
Rot. Bonds8

About 4-(2-methoxypropan-2-yloxy)butyl 2-methylprop-2-enoate

4-(2-methoxypropan-2-yloxy)butyl 2-methylprop-2-enoate (PubChem CID 139724088) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 4-(2-methoxypropan-2-yloxy)butyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-(2-methoxypropan-2-yloxy)butyl 2-methylprop-2-enoate
PubChem CID139724088
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name4-(2-methoxypropan-2-yloxy)butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCOC(C)(C)OC
InChIInChI=1S/C12H22O4/c1-10(2)11(13)15-8-6-7-9-16-12(3,4)14-5/h1,6-9H2,2-5H3
InChIKeyZHEVVDNHVWZNLD-UHFFFAOYSA-N
XLogP2.29
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

14-[(2-methylpropan-2-yl)oxy]tetradecyl 2-methylprop-2-enoate
CID 166506035
5-[(2-methylpropan-2-yl)oxy]pentyl 2-methylprop-2-enoate
CID 167430528
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
7-methoxyheptyl 2-methylprop-2-enoate
CID 58788817
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789
4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate
CID 101360150
4-acetyloxybutyl 2-methylprop-2-enoate
CID 21403527
23,23-dimethyltetracosyl 2-methylprop-2-enoate
CID 178182049
1-O-[8-[(2-methylpropan-2-yl)oxy]octyl] 4-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate
CID 166506025
6-(2-methylprop-2-enoyloxy)hexyl 2-bromo-2-methylpropanoate
CID 59782884
10-(3-methylbuta-1,3-dien-2-yloxy)decyl 2-methylprop-2-enoate
CID 176866150

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxypropan-2-yloxy)butyl 2-methylprop-2-enoate?
The IUPAC name of 4-(2-methoxypropan-2-yloxy)butyl 2-methylprop-2-enoate (CID 139724088) is 4-(2-methoxypropan-2-yloxy)butyl 2-methylprop-2-enoate.
What is the SMILES notation for 4-(2-methoxypropan-2-yloxy)butyl 2-methylprop-2-enoate?
The canonical SMILES for 4-(2-methoxypropan-2-yloxy)butyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCOC(C)(C)OC.
What is the InChIKey of 4-(2-methoxypropan-2-yloxy)butyl 2-methylprop-2-enoate?
The InChIKey is ZHEVVDNHVWZNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-10(2)11(13)15-8-6-7-9-16-12(3,4)14-5/h1,6-9H2,2-5H3.
What are the key properties of 4-(2-methoxypropan-2-yloxy)butyl 2-methylprop-2-enoate?
4-(2-methoxypropan-2-yloxy)butyl 2-methylprop-2-enoate has a molecular weight of 230.30 g/mol, XLogP of 2.29, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxypropan-2-yloxy)butyl 2-methylprop-2-enoate is sourced from PubChem (CID 139724088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).