(5S)-5-(methoxymethoxy)hexadecanal

C18H36O3 — CID 11989137

IUPAC(5S)-5-(methoxymethoxy)hexadecanal
SMILESCCCCCCCCCCC[C@@H](CCCC=O)OCOC
InChIInChI=1S/C18H36O3/c1-3-4-5-6-7-8-9-10-11-14-18(21-17-20-2)15-12-13-16-19/h16,18H,3-15,17H2,1-2H3/t18-/m0/s1
InChIKeyQFDRVNCBPDTPPA-SFHVURJKSA-N
MW300.48 g/mol
LogP5.27
Rot. Bonds17

About (5S)-5-(methoxymethoxy)hexadecanal

(5S)-5-(methoxymethoxy)hexadecanal (PubChem CID 11989137) has the molecular formula C18H36O3 and a molecular weight of 300.48 g/mol. Its IUPAC name is (5S)-5-(methoxymethoxy)hexadecanal.

Molecular Properties

Compound Name(5S)-5-(methoxymethoxy)hexadecanal
PubChem CID11989137
Molecular FormulaC18H36O3
Molecular Weight300.48 g/mol
Exact Mass300.27
IUPAC Name(5S)-5-(methoxymethoxy)hexadecanal
SMILESCCCCCCCCCCC[C@@H](CCCC=O)OCOC
InChIInChI=1S/C18H36O3/c1-3-4-5-6-7-8-9-10-11-14-18(21-17-20-2)15-12-13-16-19/h16,18H,3-15,17H2,1-2H3/t18-/m0/s1
InChIKeyQFDRVNCBPDTPPA-SFHVURJKSA-N
XLogP5.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.48
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(methoxymethoxy)hexadecanal?
The IUPAC name of (5S)-5-(methoxymethoxy)hexadecanal (CID 11989137) is (5S)-5-(methoxymethoxy)hexadecanal.
What is the SMILES notation for (5S)-5-(methoxymethoxy)hexadecanal?
The canonical SMILES for (5S)-5-(methoxymethoxy)hexadecanal is CCCCCCCCCCC[C@@H](CCCC=O)OCOC.
What is the InChIKey of (5S)-5-(methoxymethoxy)hexadecanal?
The InChIKey is QFDRVNCBPDTPPA-SFHVURJKSA-N. The full InChI is InChI=1S/C18H36O3/c1-3-4-5-6-7-8-9-10-11-14-18(21-17-20-2)15-12-13-16-19/h16,18H,3-15,17H2,1-2H3/t18-/m0/s1.
What are the key properties of (5S)-5-(methoxymethoxy)hexadecanal?
(5S)-5-(methoxymethoxy)hexadecanal has a molecular weight of 300.48 g/mol, XLogP of 5.27, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(methoxymethoxy)hexadecanal is sourced from PubChem (CID 11989137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).