(2R)-2-methoxyheptanal

C8H16O2 — CID 10898832

IUPAC(2R)-2-methoxyheptanal
SMILESCCCCC[C@H](C=O)OC
InChIInChI=1S/C8H16O2/c1-3-4-5-6-8(7-9)10-2/h7-8H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyXNFXMWJPGYGQDP-MRVPVSSYSA-N
MW144.21 g/mol
LogP1.78
Rot. Bonds6

About (2R)-2-methoxyheptanal

(2R)-2-methoxyheptanal (PubChem CID 10898832) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (2R)-2-methoxyheptanal.

Molecular Properties

Compound Name(2R)-2-methoxyheptanal
PubChem CID10898832
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(2R)-2-methoxyheptanal
SMILESCCCCC[C@H](C=O)OC
InChIInChI=1S/C8H16O2/c1-3-4-5-6-8(7-9)10-2/h7-8H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyXNFXMWJPGYGQDP-MRVPVSSYSA-N
XLogP1.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-2-methoxyheptanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methoxyheptanal?
The IUPAC name of (2R)-2-methoxyheptanal (CID 10898832) is (2R)-2-methoxyheptanal.
What is the SMILES notation for (2R)-2-methoxyheptanal?
The canonical SMILES for (2R)-2-methoxyheptanal is CCCCC[C@H](C=O)OC.
What is the InChIKey of (2R)-2-methoxyheptanal?
The InChIKey is XNFXMWJPGYGQDP-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-4-5-6-8(7-9)10-2/h7-8H,3-6H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-2-methoxyheptanal?
(2R)-2-methoxyheptanal has a molecular weight of 144.21 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methoxyheptanal is sourced from PubChem (CID 10898832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).