[(2R)-2-(methoxymethoxy)pent-4-enyl] benzoate

C14H18O4 — CID 121004547

IUPAC[(2R)-2-(methoxymethoxy)pent-4-enyl] benzoate
SMILESC=CC[C@H](COC(=O)c1ccccc1)OCOC
InChIInChI=1S/C14H18O4/c1-3-7-13(18-11-16-2)10-17-14(15)12-8-5-4-6-9-12/h3-6,8-9,13H,1,7,10-11H2,2H3/t13-/m1/s1
InChIKeyKQASAPREYUHODG-CYBMUJFWSA-N
MW250.29 g/mol
LogP2.41
Rot. Bonds8

About [(2R)-2-(methoxymethoxy)pent-4-enyl] benzoate

[(2R)-2-(methoxymethoxy)pent-4-enyl] benzoate (PubChem CID 121004547) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is [(2R)-2-(methoxymethoxy)pent-4-enyl] benzoate.

Molecular Properties

Compound Name[(2R)-2-(methoxymethoxy)pent-4-enyl] benzoate
PubChem CID121004547
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name[(2R)-2-(methoxymethoxy)pent-4-enyl] benzoate
SMILESC=CC[C@H](COC(=O)c1ccccc1)OCOC
InChIInChI=1S/C14H18O4/c1-3-7-13(18-11-16-2)10-17-14(15)12-8-5-4-6-9-12/h3-6,8-9,13H,1,7,10-11H2,2H3/t13-/m1/s1
InChIKeyKQASAPREYUHODG-CYBMUJFWSA-N
XLogP2.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(2R)-2-hydroxypent-4-enyl] benzoate
CID 11106524
[(2S)-2-(methoxymethoxy)pent-4-enyl]benzene
CID 101457567
[(2S)-2-benzoyloxy-3-methoxypropyl] benzoate
CID 14483657
[(2R)-2-(diphenylphosphorylmethyl)pent-4-enyl] benzoate
CID 25267228
[4,5-bis(methoxymethoxy)-6-oxohex-1-en-3-yl] benzoate
CID 542490
(3R)-N,N-dibenzyl-3-(methoxymethoxy)hex-5-enamide
CID 50900870
2,2-bis(2-methoxyethoxy)ethyl benzoate
CID 10236485
2-methoxycarbonyloxybut-3-enyl benzoate
CID 102200830
(2-hydroxy-3-oxopent-4-enyl) benzoate
CID 174976400
[2-(2-ethenylphenyl)-2-hydroxyethyl] benzoate
CID 155680336
[(2R)-2,4-dibenzoyloxyhex-5-enyl] benzoate
CID 139697958
(4-benzoyloxy-2,3-dihydroxybutyl) benzoate
CID 569984

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(methoxymethoxy)pent-4-enyl] benzoate?
The IUPAC name of [(2R)-2-(methoxymethoxy)pent-4-enyl] benzoate (CID 121004547) is [(2R)-2-(methoxymethoxy)pent-4-enyl] benzoate.
What is the SMILES notation for [(2R)-2-(methoxymethoxy)pent-4-enyl] benzoate?
The canonical SMILES for [(2R)-2-(methoxymethoxy)pent-4-enyl] benzoate is C=CC[C@H](COC(=O)c1ccccc1)OCOC.
What is the InChIKey of [(2R)-2-(methoxymethoxy)pent-4-enyl] benzoate?
The InChIKey is KQASAPREYUHODG-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18O4/c1-3-7-13(18-11-16-2)10-17-14(15)12-8-5-4-6-9-12/h3-6,8-9,13H,1,7,10-11H2,2H3/t13-/m1/s1.
What are the key properties of [(2R)-2-(methoxymethoxy)pent-4-enyl] benzoate?
[(2R)-2-(methoxymethoxy)pent-4-enyl] benzoate has a molecular weight of 250.29 g/mol, XLogP of 2.41, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(methoxymethoxy)pent-4-enyl] benzoate is sourced from PubChem (CID 121004547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).