2-methylpropyl 3-methoxyprop-2-enoate

C8H14O3 — CID 74018999

IUPAC2-methylpropyl 3-methoxyprop-2-enoate
SMILESCOC=CC(=O)OCC(C)C
InChIInChI=1S/C8H14O3/c1-7(2)6-11-8(9)4-5-10-3/h4-5,7H,6H2,1-3H3
InChIKeyIRMPQQZDWSFMMB-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.35
Rot. Bonds4

About 2-methylpropyl 3-methoxyprop-2-enoate

2-methylpropyl 3-methoxyprop-2-enoate (PubChem CID 74018999) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-methylpropyl 3-methoxyprop-2-enoate.

Molecular Properties

Compound Name2-methylpropyl 3-methoxyprop-2-enoate
PubChem CID74018999
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-methylpropyl 3-methoxyprop-2-enoate
SMILESCOC=CC(=O)OCC(C)C
InChIInChI=1S/C8H14O3/c1-7(2)6-11-8(9)4-5-10-3/h4-5,7H,6H2,1-3H3
InChIKeyIRMPQQZDWSFMMB-UHFFFAOYSA-N
XLogP1.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methylpropyl (E)-3-(2-methylpropoxy)prop-2-enoate
CID 22463383
2-methylpropyl 3-[(2-methylpropan-2-yl)oxy]prop-2-enoate
CID 141112568
cadmium(2+);bis((Z)-4-(2-methylpropoxy)-4-oxobut-2-enoate)
CID 102058822
methyl 3-methylbutanoate;2-methylpropyl (E)-but-2-enoate
CID 118610239
1-O-(2-methylpropyl) 4-O-pentan-3-yl (E)-but-2-enedioate
CID 91721922
1-O-(3-methylbut-2-enyl) 4-O-(2-methylpropyl) (E)-but-2-enedioate
CID 91701339
4-O-(2-methylpropyl) 1-O-pentyl (E)-but-2-enedioate
CID 91725313
butan-2-yl 3-methoxyprop-2-enoate
CID 74018995
1-O-dodecyl 4-O-(2-methylpropyl) (E)-but-2-enedioate
CID 91693464
1-O-[(E)-hex-3-enyl] 4-O-(2-methylpropyl) (E)-but-2-enedioate
CID 91697840
4-(2-methoxypropoxy)-4-oxobut-2-enoic acid
CID 54339045
2-methylpropyl (E)-3-cycloheptylprop-2-enoate
CID 11629960

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 3-methoxyprop-2-enoate?
The IUPAC name of 2-methylpropyl 3-methoxyprop-2-enoate (CID 74018999) is 2-methylpropyl 3-methoxyprop-2-enoate.
What is the SMILES notation for 2-methylpropyl 3-methoxyprop-2-enoate?
The canonical SMILES for 2-methylpropyl 3-methoxyprop-2-enoate is COC=CC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 3-methoxyprop-2-enoate?
The InChIKey is IRMPQQZDWSFMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-7(2)6-11-8(9)4-5-10-3/h4-5,7H,6H2,1-3H3.
What are the key properties of 2-methylpropyl 3-methoxyprop-2-enoate?
2-methylpropyl 3-methoxyprop-2-enoate has a molecular weight of 158.20 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 3-methoxyprop-2-enoate is sourced from PubChem (CID 74018999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).