methyl (Z)-2-methoxy-3-methylpent-2-enoate

C8H14O3 — CID 5363786

IUPACmethyl (Z)-2-methoxy-3-methylpent-2-enoate
SMILESCC/C(C)=C(\OC)C(=O)OC
InChIInChI=1S/C8H14O3/c1-5-6(2)7(10-3)8(9)11-4/h5H2,1-4H3/b7-6-
InChIKeyDMPRWROCXNHNHQ-SREVYHEPSA-N
MW158.20 g/mol
LogP1.49
Rot. Bonds3

About methyl (Z)-2-methoxy-3-methylpent-2-enoate

methyl (Z)-2-methoxy-3-methylpent-2-enoate (PubChem CID 5363786) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is methyl (Z)-2-methoxy-3-methylpent-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-methoxy-3-methylpent-2-enoate
PubChem CID5363786
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Namemethyl (Z)-2-methoxy-3-methylpent-2-enoate
SMILESCC/C(C)=C(\OC)C(=O)OC
InChIInChI=1S/C8H14O3/c1-5-6(2)7(10-3)8(9)11-4/h5H2,1-4H3/b7-6-
InChIKeyDMPRWROCXNHNHQ-SREVYHEPSA-N
XLogP1.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.49
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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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-methoxy-3-methylpent-2-enoate?
The IUPAC name of methyl (Z)-2-methoxy-3-methylpent-2-enoate (CID 5363786) is methyl (Z)-2-methoxy-3-methylpent-2-enoate.
What is the SMILES notation for methyl (Z)-2-methoxy-3-methylpent-2-enoate?
The canonical SMILES for methyl (Z)-2-methoxy-3-methylpent-2-enoate is CC/C(C)=C(\OC)C(=O)OC.
What is the InChIKey of methyl (Z)-2-methoxy-3-methylpent-2-enoate?
The InChIKey is DMPRWROCXNHNHQ-SREVYHEPSA-N. The full InChI is InChI=1S/C8H14O3/c1-5-6(2)7(10-3)8(9)11-4/h5H2,1-4H3/b7-6-.
What are the key properties of methyl (Z)-2-methoxy-3-methylpent-2-enoate?
methyl (Z)-2-methoxy-3-methylpent-2-enoate has a molecular weight of 158.20 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-methoxy-3-methylpent-2-enoate is sourced from PubChem (CID 5363786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).