4-methylpentan-2-yloxymethyl 2-methylprop-2-enoate

C11H20O3 — CID 59189148

IUPAC4-methylpentan-2-yloxymethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCOC(C)CC(C)C
InChIInChI=1S/C11H20O3/c1-8(2)6-10(5)13-7-14-11(12)9(3)4/h8,10H,3,6-7H2,1-2,4-5H3
InChIKeyISMSHVNRVXEVBG-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.51
Rot. Bonds6

About 4-methylpentan-2-yloxymethyl 2-methylprop-2-enoate

4-methylpentan-2-yloxymethyl 2-methylprop-2-enoate (PubChem CID 59189148) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-methylpentan-2-yloxymethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-methylpentan-2-yloxymethyl 2-methylprop-2-enoate
PubChem CID59189148
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name4-methylpentan-2-yloxymethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCOC(C)CC(C)C
InChIInChI=1S/C11H20O3/c1-8(2)6-10(5)13-7-14-11(12)9(3)4/h8,10H,3,6-7H2,1-2,4-5H3
InChIKeyISMSHVNRVXEVBG-UHFFFAOYSA-N
XLogP2.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

1-fluoroethoxymethyl 2-methylprop-2-enoate
CID 59816439
[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
[2-methyl-4-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate
CID 19428958
2-methylprop-2-enoyl (2S)-2-amino-4-methylpentanoate
CID 175101609
trihydroxy-[2-(2-methylprop-2-enoyloxy)propyl]phosphanium
CID 154142538
2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2-methylprop-2-enoate
CID 18762108
2-[5-(2-methoxyethoxy)hexan-3-yloxy]ethyl 2-methylprop-2-enoate
CID 23599748
2-hydroxypropanoic acid;prop-2-enoxymethyl 2-methylprop-2-enoate
CID 118254217
bis(ethane-1,2-diol);ethene;2-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate
CID 173326702
magnesium bis(ethyl 2-methylprop-2-enoate)
CID 174920026
3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 22641153
2,3-dimethylbutyl 2-methylprop-2-enoate
CID 18361655

Frequently Asked Questions

What is the IUPAC name of 4-methylpentan-2-yloxymethyl 2-methylprop-2-enoate?
The IUPAC name of 4-methylpentan-2-yloxymethyl 2-methylprop-2-enoate (CID 59189148) is 4-methylpentan-2-yloxymethyl 2-methylprop-2-enoate.
What is the SMILES notation for 4-methylpentan-2-yloxymethyl 2-methylprop-2-enoate?
The canonical SMILES for 4-methylpentan-2-yloxymethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCOC(C)CC(C)C.
What is the InChIKey of 4-methylpentan-2-yloxymethyl 2-methylprop-2-enoate?
The InChIKey is ISMSHVNRVXEVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-8(2)6-10(5)13-7-14-11(12)9(3)4/h8,10H,3,6-7H2,1-2,4-5H3.
What are the key properties of 4-methylpentan-2-yloxymethyl 2-methylprop-2-enoate?
4-methylpentan-2-yloxymethyl 2-methylprop-2-enoate has a molecular weight of 200.28 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentan-2-yloxymethyl 2-methylprop-2-enoate is sourced from PubChem (CID 59189148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).