(3-methyloxetan-3-yl)methyl 3-methylbut-2-enoate

C10H16O3 — CID 69419737

IUPAC(3-methyloxetan-3-yl)methyl 3-methylbut-2-enoate
SMILESCC(C)=CC(=O)OCC1(C)COC1
InChIInChI=1S/C10H16O3/c1-8(2)4-9(11)13-7-10(3)5-12-6-10/h4H,5-7H2,1-3H3
InChIKeyQRMUOLCNFPZXAV-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.53
Rot. Bonds3

About (3-methyloxetan-3-yl)methyl 3-methylbut-2-enoate

(3-methyloxetan-3-yl)methyl 3-methylbut-2-enoate (PubChem CID 69419737) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (3-methyloxetan-3-yl)methyl 3-methylbut-2-enoate.

Molecular Properties

Compound Name(3-methyloxetan-3-yl)methyl 3-methylbut-2-enoate
PubChem CID69419737
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(3-methyloxetan-3-yl)methyl 3-methylbut-2-enoate
SMILESCC(C)=CC(=O)OCC1(C)COC1
InChIInChI=1S/C10H16O3/c1-8(2)4-9(11)13-7-10(3)5-12-6-10/h4H,5-7H2,1-3H3
InChIKeyQRMUOLCNFPZXAV-UHFFFAOYSA-N
XLogP1.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.53
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

Ethyl 3,3-dimethylacrylate
CID 12516
3-Methyl-2-butenyl 3-methyl-2-butenoate
CID 166302
Butyl 3-methyl-2-butenoate
CID 104679
Tiglyl tiglate
CID 5281188
Ethyl 2-(oxetan-3-ylidene)acetate
CID 53308471
2,2-Dimethylpropanoic acid, 3-methylbut-2-enyl ester
CID 531134
Isobutyl 3-methyl-2-butenoate
CID 121709
Propyl 3-methyl-2-butenoate
CID 530325
3-Methyl-2-butenyl 2-methylcrotonate
CID 6365867
Methyl (oxetan-3-ylidene)acetate
CID 46839994
3-Methylbut-2-enyl 2-methylisocrotonate
CID 6432943
2-Butenoic acid, 2-methyl-, 2-methyl-2-butenyl ester
CID 441613

Frequently Asked Questions

What is the IUPAC name of (3-methyloxetan-3-yl)methyl 3-methylbut-2-enoate?
The IUPAC name of (3-methyloxetan-3-yl)methyl 3-methylbut-2-enoate (CID 69419737) is (3-methyloxetan-3-yl)methyl 3-methylbut-2-enoate.
What is the SMILES notation for (3-methyloxetan-3-yl)methyl 3-methylbut-2-enoate?
The canonical SMILES for (3-methyloxetan-3-yl)methyl 3-methylbut-2-enoate is CC(C)=CC(=O)OCC1(C)COC1.
What is the InChIKey of (3-methyloxetan-3-yl)methyl 3-methylbut-2-enoate?
The InChIKey is QRMUOLCNFPZXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-8(2)4-9(11)13-7-10(3)5-12-6-10/h4H,5-7H2,1-3H3.
What are the key properties of (3-methyloxetan-3-yl)methyl 3-methylbut-2-enoate?
(3-methyloxetan-3-yl)methyl 3-methylbut-2-enoate has a molecular weight of 184.23 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyloxetan-3-yl)methyl 3-methylbut-2-enoate is sourced from PubChem (CID 69419737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).