methyl 2-methylidene-4-(oxetan-2-yl)pentanoate

C10H16O3 — CID 175276046

IUPACmethyl 2-methylidene-4-(oxetan-2-yl)pentanoate
SMILESC=C(CC(C)C1CCO1)C(=O)OC
InChIInChI=1S/C10H16O3/c1-7(9-4-5-13-9)6-8(2)10(11)12-3/h7,9H,2,4-6H2,1,3H3
InChIKeyAMTXBSXMPITCFV-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.53
Rot. Bonds4

About methyl 2-methylidene-4-(oxetan-2-yl)pentanoate

methyl 2-methylidene-4-(oxetan-2-yl)pentanoate (PubChem CID 175276046) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is methyl 2-methylidene-4-(oxetan-2-yl)pentanoate.

Molecular Properties

Compound Namemethyl 2-methylidene-4-(oxetan-2-yl)pentanoate
PubChem CID175276046
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namemethyl 2-methylidene-4-(oxetan-2-yl)pentanoate
SMILESC=C(CC(C)C1CCO1)C(=O)OC
InChIInChI=1S/C10H16O3/c1-7(9-4-5-13-9)6-8(2)10(11)12-3/h7,9H,2,4-6H2,1,3H3
InChIKeyAMTXBSXMPITCFV-UHFFFAOYSA-N
XLogP1.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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

methyl 4,4-dicyclopentyloxy-2-methylidenebutanoate
CID 137404848
methyl 4-hydroxy-2-methylidenepentanoate;methyl 2-(oxiran-2-ylmethyl)prop-2-enoate
CID 174788153
(3S)-3-[(2S)-oxolan-2-yl]butanoic acid
CID 791005
3-(oxolan-2-yl)butanoic acid
CID 3727496
methyl 4-ethyl-2-methylidenehexanoate
CID 126640126
dimethyl (2R)-2-hydroxy-4-methylidenepentanedioate
CID 88938742
methyl (3S)-3-[(2R,3S)-2-methoxyoxolan-3-yl]butanoate
CID 101018358
methyl (4S)-4-fluoro-2-methylidene-5-oxohexanoate
CID 157218390
dimethyl (2S)-2-fluoro-4-methylidenepentanedioate
CID 71512643
dimethyl 2-fluoro-4-methylidenepentanedioate
CID 78093129
3-(oxiran-2-yl)butyl 2-methylidenebutanoate
CID 141152809
methyl 2-(oxiran-2-ylmethyl)prop-2-enoate;methyl prop-2-enoate
CID 174793622

Frequently Asked Questions

What is the IUPAC name of methyl 2-methylidene-4-(oxetan-2-yl)pentanoate?
The IUPAC name of methyl 2-methylidene-4-(oxetan-2-yl)pentanoate (CID 175276046) is methyl 2-methylidene-4-(oxetan-2-yl)pentanoate.
What is the SMILES notation for methyl 2-methylidene-4-(oxetan-2-yl)pentanoate?
The canonical SMILES for methyl 2-methylidene-4-(oxetan-2-yl)pentanoate is C=C(CC(C)C1CCO1)C(=O)OC.
What is the InChIKey of methyl 2-methylidene-4-(oxetan-2-yl)pentanoate?
The InChIKey is AMTXBSXMPITCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-7(9-4-5-13-9)6-8(2)10(11)12-3/h7,9H,2,4-6H2,1,3H3.
What are the key properties of methyl 2-methylidene-4-(oxetan-2-yl)pentanoate?
methyl 2-methylidene-4-(oxetan-2-yl)pentanoate has a molecular weight of 184.23 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylidene-4-(oxetan-2-yl)pentanoate is sourced from PubChem (CID 175276046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).