1-methoxypentyl 2-methylprop-2-enoate

C10H18O3 — CID 140764289

IUPAC1-methoxypentyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CCCC)OC
InChIInChI=1S/C10H18O3/c1-5-6-7-9(12-4)13-10(11)8(2)3/h9H,2,5-7H2,1,3-4H3
InChIKeyLBQFXIODJDEQGA-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.27
Rot. Bonds6

About 1-methoxypentyl 2-methylprop-2-enoate

1-methoxypentyl 2-methylprop-2-enoate (PubChem CID 140764289) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-methoxypentyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-methoxypentyl 2-methylprop-2-enoate
PubChem CID140764289
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name1-methoxypentyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CCCC)OC
InChIInChI=1S/C10H18O3/c1-5-6-7-9(12-4)13-10(11)8(2)3/h9H,2,5-7H2,1,3-4H3
InChIKeyLBQFXIODJDEQGA-UHFFFAOYSA-N
XLogP2.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.27
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-methoxyheptyl 2-methylprop-2-enoate
CID 140764292
1-ethoxypentyl 2-methylprop-2-enoate
CID 118268254
1-methoxypentyl acetate
CID 18000534
1-chloropentyl 2-methylprop-2-enoate
CID 174740582
[4-[6-(butylamino)hexylamino]-1-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 139786044
1-(2-methylprop-2-enoyloxy)decyl 2-methylpropanoate
CID 164750020
butyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]phosphanium
CID 175290626
tridecan-5-yl 2-methylprop-2-enoate
CID 164546460
undecan-5-yl 2-methylprop-2-enoate
CID 87158130
(1-hydroxy-2-methylhexyl) 2-methylprop-2-enoate
CID 23431556
pentacosan-13-yl 2-methylprop-2-enoate
CID 54141631
[10-methyl-1-(2-methylprop-2-enoyloxy)undecyl] 2-methylprop-2-enoate
CID 140695819

Frequently Asked Questions

What is the IUPAC name of 1-methoxypentyl 2-methylprop-2-enoate?
The IUPAC name of 1-methoxypentyl 2-methylprop-2-enoate (CID 140764289) is 1-methoxypentyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-methoxypentyl 2-methylprop-2-enoate?
The canonical SMILES for 1-methoxypentyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(CCCC)OC.
What is the InChIKey of 1-methoxypentyl 2-methylprop-2-enoate?
The InChIKey is LBQFXIODJDEQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-5-6-7-9(12-4)13-10(11)8(2)3/h9H,2,5-7H2,1,3-4H3.
What are the key properties of 1-methoxypentyl 2-methylprop-2-enoate?
1-methoxypentyl 2-methylprop-2-enoate has a molecular weight of 186.25 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypentyl 2-methylprop-2-enoate is sourced from PubChem (CID 140764289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).