methyl 2-methyl-3-(oxan-4-yl)propanoate

C10H18O3 — CID 67765970

IUPACmethyl 2-methyl-3-(oxan-4-yl)propanoate
SMILESCOC(=O)C(C)CC1CCOCC1
InChIInChI=1S/C10H18O3/c1-8(10(11)12-2)7-9-3-5-13-6-4-9/h8-9H,3-7H2,1-2H3
InChIKeyWSEKRFVETQODIP-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.61
Rot. Bonds3

About methyl 2-methyl-3-(oxan-4-yl)propanoate

methyl 2-methyl-3-(oxan-4-yl)propanoate (PubChem CID 67765970) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl 2-methyl-3-(oxan-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-(oxan-4-yl)propanoate
PubChem CID67765970
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Namemethyl 2-methyl-3-(oxan-4-yl)propanoate
SMILESCOC(=O)C(C)CC1CCOCC1
InChIInChI=1S/C10H18O3/c1-8(10(11)12-2)7-9-3-5-13-6-4-9/h8-9H,3-7H2,1-2H3
InChIKeyWSEKRFVETQODIP-UHFFFAOYSA-N
XLogP1.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 88879043
CID 88879043
methyl 2-methyl-3-[methyl(oxan-4-ylmethyl)amino]propanoate
CID 62386645
methyl 2-(oxan-4-ylmethylamino)propanoate
CID 62385686
methyl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methylpropanoate
CID 120791632
methyl 2-methyl-3-(1-methylpyrrolidin-3-yl)propanoate
CID 83980575
methyl (2R)-2-amino-4-(oxan-4-yl)butanoate
CID 27282389
methyl 3-methoxy-2-(oxan-4-yl)propanoate
CID 117239855
2-methyl-3-[(3S)-oxolan-3-yl]propanamide
CID 162453240
methyl 3-(1,4-dioxan-2-yl)-2-methylpropanoate
CID 3627507
methyl 3-(oxan-4-ylsulfanyl)-2-(propan-2-ylamino)propanoate
CID 62989798
(2S)-1-(oxan-4-yl)propan-2-amine
CID 94422387
1-(oxan-4-yl)propan-2-amine
CID 21054632

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-(oxan-4-yl)propanoate?
The IUPAC name of methyl 2-methyl-3-(oxan-4-yl)propanoate (CID 67765970) is methyl 2-methyl-3-(oxan-4-yl)propanoate.
What is the SMILES notation for methyl 2-methyl-3-(oxan-4-yl)propanoate?
The canonical SMILES for methyl 2-methyl-3-(oxan-4-yl)propanoate is COC(=O)C(C)CC1CCOCC1.
What is the InChIKey of methyl 2-methyl-3-(oxan-4-yl)propanoate?
The InChIKey is WSEKRFVETQODIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-8(10(11)12-2)7-9-3-5-13-6-4-9/h8-9H,3-7H2,1-2H3.
What are the key properties of methyl 2-methyl-3-(oxan-4-yl)propanoate?
methyl 2-methyl-3-(oxan-4-yl)propanoate has a molecular weight of 186.25 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-(oxan-4-yl)propanoate is sourced from PubChem (CID 67765970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).