2-methoxy-3-methylpentanal

C7H14O2 — CID 58640306

IUPAC2-methoxy-3-methylpentanal
SMILESCCC(C)C(C=O)OC
InChIInChI=1S/C7H14O2/c1-4-6(2)7(5-8)9-3/h5-7H,4H2,1-3H3
InChIKeyRGNLXKQOCWDZPK-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.25
Rot. Bonds4

About 2-methoxy-3-methylpentanal

2-methoxy-3-methylpentanal (PubChem CID 58640306) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-methoxy-3-methylpentanal.

Molecular Properties

Compound Name2-methoxy-3-methylpentanal
PubChem CID58640306
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name2-methoxy-3-methylpentanal
SMILESCCC(C)C(C=O)OC
InChIInChI=1S/C7H14O2/c1-4-6(2)7(5-8)9-3/h5-7H,4H2,1-3H3
InChIKeyRGNLXKQOCWDZPK-UHFFFAOYSA-N
XLogP1.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methylpentanal?
The IUPAC name of 2-methoxy-3-methylpentanal (CID 58640306) is 2-methoxy-3-methylpentanal.
What is the SMILES notation for 2-methoxy-3-methylpentanal?
The canonical SMILES for 2-methoxy-3-methylpentanal is CCC(C)C(C=O)OC.
What is the InChIKey of 2-methoxy-3-methylpentanal?
The InChIKey is RGNLXKQOCWDZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-4-6(2)7(5-8)9-3/h5-7H,4H2,1-3H3.
What are the key properties of 2-methoxy-3-methylpentanal?
2-methoxy-3-methylpentanal has a molecular weight of 130.19 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methylpentanal is sourced from PubChem (CID 58640306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).