1-methoxybut-1-enyl 2-methylprop-2-enoate

C9H14O3 — CID 141327866

IUPAC1-methoxybut-1-enyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(=CCC)OC
InChIInChI=1S/C9H14O3/c1-5-6-8(11-4)12-9(10)7(2)3/h6H,2,5H2,1,3-4H3
InChIKeyGSVQJRJZWZCDNZ-UHFFFAOYSA-N
MW170.21 g/mol
LogP2.00
Rot. Bonds4

About 1-methoxybut-1-enyl 2-methylprop-2-enoate

1-methoxybut-1-enyl 2-methylprop-2-enoate (PubChem CID 141327866) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-methoxybut-1-enyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-methoxybut-1-enyl 2-methylprop-2-enoate
PubChem CID141327866
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name1-methoxybut-1-enyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(=CCC)OC
InChIInChI=1S/C9H14O3/c1-5-6-8(11-4)12-9(10)7(2)3/h6H,2,5H2,1,3-4H3
InChIKeyGSVQJRJZWZCDNZ-UHFFFAOYSA-N
XLogP2.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.00
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

1-acetyloxybut-1-enyl acetate
CID 18688720
2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 170331800
2-methylbuta-1,3-diene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 87864709
methyl 2-methylprop-2-enoate;2-methylpent-1-en-3-one
CID 158562898
methane;(3-methoxy-3-oxoprop-1-en-2-yl) 2-methylprop-2-enoate
CID 174791686
2-methylprop-2-enoyl 3-oxobutanoate
CID 22608979
butane;prop-2-enoyl 2-methylprop-2-enoate
CID 174895083
formaldehyde;methyl 2-methylprop-2-enoate;methyl propanoate;hydrate
CID 20535483
methyl 2-methylprop-2-enoate;propan-2-one
CID 18939878
methane;bis(methyl 2-methylprop-2-enoate)
CID 159008219
methyl 2-methylprop-2-enoate;nickel
CID 88732958
methyl 2-methylprop-2-enoate;polane
CID 173074189

Frequently Asked Questions

What is the IUPAC name of 1-methoxybut-1-enyl 2-methylprop-2-enoate?
The IUPAC name of 1-methoxybut-1-enyl 2-methylprop-2-enoate (CID 141327866) is 1-methoxybut-1-enyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-methoxybut-1-enyl 2-methylprop-2-enoate?
The canonical SMILES for 1-methoxybut-1-enyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(=CCC)OC.
What is the InChIKey of 1-methoxybut-1-enyl 2-methylprop-2-enoate?
The InChIKey is GSVQJRJZWZCDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-5-6-8(11-4)12-9(10)7(2)3/h6H,2,5H2,1,3-4H3.
What are the key properties of 1-methoxybut-1-enyl 2-methylprop-2-enoate?
1-methoxybut-1-enyl 2-methylprop-2-enoate has a molecular weight of 170.21 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxybut-1-enyl 2-methylprop-2-enoate is sourced from PubChem (CID 141327866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).