2-methoxy-4-(methoxymethoxy)-5-[(2S)-3-methylbut-3-en-2-yl]benzaldehyde

C15H20O4 — CID 46211424

IUPAC2-methoxy-4-(methoxymethoxy)-5-[(2S)-3-methylbut-3-en-2-yl]benzaldehyde
SMILESC=C(C)[C@H](C)c1cc(C=O)c(OC)cc1OCOC
InChIInChI=1S/C15H20O4/c1-10(2)11(3)13-6-12(8-16)14(18-5)7-15(13)19-9-17-4/h6-8,11H,1,9H2,2-5H3/t11-/m0/s1
InChIKeyRXMXJWBECHXASW-NSHDSACASA-N
MW264.32 g/mol
LogP3.17
Rot. Bonds7

About 2-methoxy-4-(methoxymethoxy)-5-[(2S)-3-methylbut-3-en-2-yl]benzaldehyde

2-methoxy-4-(methoxymethoxy)-5-[(2S)-3-methylbut-3-en-2-yl]benzaldehyde (PubChem CID 46211424) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-methoxy-4-(methoxymethoxy)-5-[(2S)-3-methylbut-3-en-2-yl]benzaldehyde.

Molecular Properties

Compound Name2-methoxy-4-(methoxymethoxy)-5-[(2S)-3-methylbut-3-en-2-yl]benzaldehyde
PubChem CID46211424
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name2-methoxy-4-(methoxymethoxy)-5-[(2S)-3-methylbut-3-en-2-yl]benzaldehyde
SMILESC=C(C)[C@H](C)c1cc(C=O)c(OC)cc1OCOC
InChIInChI=1S/C15H20O4/c1-10(2)11(3)13-6-12(8-16)14(18-5)7-15(13)19-9-17-4/h6-8,11H,1,9H2,2-5H3/t11-/m0/s1
InChIKeyRXMXJWBECHXASW-NSHDSACASA-N
XLogP3.17
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(methoxymethoxy)-5-[(2S)-3-methylbut-3-en-2-yl]benzaldehyde?
The IUPAC name of 2-methoxy-4-(methoxymethoxy)-5-[(2S)-3-methylbut-3-en-2-yl]benzaldehyde (CID 46211424) is 2-methoxy-4-(methoxymethoxy)-5-[(2S)-3-methylbut-3-en-2-yl]benzaldehyde.
What is the SMILES notation for 2-methoxy-4-(methoxymethoxy)-5-[(2S)-3-methylbut-3-en-2-yl]benzaldehyde?
The canonical SMILES for 2-methoxy-4-(methoxymethoxy)-5-[(2S)-3-methylbut-3-en-2-yl]benzaldehyde is C=C(C)[C@H](C)c1cc(C=O)c(OC)cc1OCOC.
What is the InChIKey of 2-methoxy-4-(methoxymethoxy)-5-[(2S)-3-methylbut-3-en-2-yl]benzaldehyde?
The InChIKey is RXMXJWBECHXASW-NSHDSACASA-N. The full InChI is InChI=1S/C15H20O4/c1-10(2)11(3)13-6-12(8-16)14(18-5)7-15(13)19-9-17-4/h6-8,11H,1,9H2,2-5H3/t11-/m0/s1.
What are the key properties of 2-methoxy-4-(methoxymethoxy)-5-[(2S)-3-methylbut-3-en-2-yl]benzaldehyde?
2-methoxy-4-(methoxymethoxy)-5-[(2S)-3-methylbut-3-en-2-yl]benzaldehyde has a molecular weight of 264.32 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(methoxymethoxy)-5-[(2S)-3-methylbut-3-en-2-yl]benzaldehyde is sourced from PubChem (CID 46211424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).