(3-methoxy-3-methylbutyl) but-2-enoate

C10H18O3 — CID 161484062

IUPAC(3-methoxy-3-methylbutyl) but-2-enoate
SMILESCC=CC(=O)OCCC(C)(C)OC
InChIInChI=1S/C10H18O3/c1-5-6-9(11)13-8-7-10(2,3)12-4/h5-6H,7-8H2,1-4H3
InChIKeyWETBAVNSHKCOEV-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.92
Rot. Bonds5

About (3-methoxy-3-methylbutyl) but-2-enoate

(3-methoxy-3-methylbutyl) but-2-enoate (PubChem CID 161484062) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (3-methoxy-3-methylbutyl) but-2-enoate.

Molecular Properties

Compound Name(3-methoxy-3-methylbutyl) but-2-enoate
PubChem CID161484062
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(3-methoxy-3-methylbutyl) but-2-enoate
SMILESCC=CC(=O)OCCC(C)(C)OC
InChIInChI=1S/C10H18O3/c1-5-6-9(11)13-8-7-10(2,3)12-4/h5-6H,7-8H2,1-4H3
InChIKeyWETBAVNSHKCOEV-UHFFFAOYSA-N
XLogP1.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-methoxy-3-methylbutoxy)carbonyl (3-methoxy-3-methylbutyl) carbonate
CID 140987016
2-[(E)-but-2-enoyl]oxyethyl (E)-but-2-enoate;ethane-1,2-diol
CID 87089825
acetic acid;(3-methoxy-3-methylbutyl) acetate
CID 162329695
2-(2-methoxyethoxy)ethyl (Z)-but-2-enoate
CID 5385708
3,3,4,4,5,5,6,6,6-nonafluorohexyl (Z)-but-2-enoate
CID 124747928
2,2-dimethylpropyl (Z)-but-2-enoate
CID 144512748
[3-[(Z)-but-2-enoyl]oxy-2,2-dimethylpropyl] (Z)-but-2-enoate
CID 151270898
(3-methoxy-3-methylbutyl) 2-methoxyacetate
CID 44602909
4-O-(3,3-dimethylbutyl) 1-O-methyl (E)-but-2-enedioate
CID 89022294
ethane-1,2-diol;(3-methoxy-3-methylbutyl) acetate
CID 146356038
(4,4,5,5-tetrafluoro-8-hydroxyoctyl) but-2-enoate
CID 174343988
3-methylbutyl (Z)-but-2-enoate
CID 93481892

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-3-methylbutyl) but-2-enoate?
The IUPAC name of (3-methoxy-3-methylbutyl) but-2-enoate (CID 161484062) is (3-methoxy-3-methylbutyl) but-2-enoate.
What is the SMILES notation for (3-methoxy-3-methylbutyl) but-2-enoate?
The canonical SMILES for (3-methoxy-3-methylbutyl) but-2-enoate is CC=CC(=O)OCCC(C)(C)OC.
What is the InChIKey of (3-methoxy-3-methylbutyl) but-2-enoate?
The InChIKey is WETBAVNSHKCOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-5-6-9(11)13-8-7-10(2,3)12-4/h5-6H,7-8H2,1-4H3.
What are the key properties of (3-methoxy-3-methylbutyl) but-2-enoate?
(3-methoxy-3-methylbutyl) but-2-enoate has a molecular weight of 186.25 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-3-methylbutyl) but-2-enoate is sourced from PubChem (CID 161484062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).