(3S)-3-(methoxymethoxy)octanal

C10H20O3 — CID 134837019

IUPAC(3S)-3-(methoxymethoxy)octanal
SMILESCCCCC[C@@H](CC=O)OCOC
InChIInChI=1S/C10H20O3/c1-3-4-5-6-10(7-8-11)13-9-12-2/h8,10H,3-7,9H2,1-2H3/t10-/m0/s1
InChIKeyGHXILEDWGQNJEV-JTQLQIEISA-N
MW188.27 g/mol
LogP2.14
Rot. Bonds9

About (3S)-3-(methoxymethoxy)octanal

(3S)-3-(methoxymethoxy)octanal (PubChem CID 134837019) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is (3S)-3-(methoxymethoxy)octanal.

Molecular Properties

Compound Name(3S)-3-(methoxymethoxy)octanal
PubChem CID134837019
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name(3S)-3-(methoxymethoxy)octanal
SMILESCCCCC[C@@H](CC=O)OCOC
InChIInChI=1S/C10H20O3/c1-3-4-5-6-10(7-8-11)13-9-12-2/h8,10H,3-7,9H2,1-2H3/t10-/m0/s1
InChIKeyGHXILEDWGQNJEV-JTQLQIEISA-N
XLogP2.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.14
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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Related Compounds

13,15-Dioxahexadecanal
CID 11746881
8-(Methoxymethoxy)octanal
CID 13319193
3-Methoxynonanal
CID 21420710
3-(Methoxymethoxy)nonanal
CID 10081576
(5S)-5-(methoxymethoxy)hexadecanal
CID 11989137
(2R)-2-(methoxymethoxy)octanal
CID 12175846
3-(Methoxymethoxy)octanal
CID 15146192
1-(Methoxymethoxy)decan-3-one
CID 71568248
(3s)-3-(Methoxymethoxy)hexanal
CID 129747866
(2S,3S)-2-butyl-3-(methoxymethoxy)heptanal
CID 139263532
2-(Methoxymethoxy)octanal
CID 13312356
(S)-3-(2-methoxyprop-2-oxy)tetradecanal
CID 10518344

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(methoxymethoxy)octanal?
The IUPAC name of (3S)-3-(methoxymethoxy)octanal (CID 134837019) is (3S)-3-(methoxymethoxy)octanal.
What is the SMILES notation for (3S)-3-(methoxymethoxy)octanal?
The canonical SMILES for (3S)-3-(methoxymethoxy)octanal is CCCCC[C@@H](CC=O)OCOC.
What is the InChIKey of (3S)-3-(methoxymethoxy)octanal?
The InChIKey is GHXILEDWGQNJEV-JTQLQIEISA-N. The full InChI is InChI=1S/C10H20O3/c1-3-4-5-6-10(7-8-11)13-9-12-2/h8,10H,3-7,9H2,1-2H3/t10-/m0/s1.
What are the key properties of (3S)-3-(methoxymethoxy)octanal?
(3S)-3-(methoxymethoxy)octanal has a molecular weight of 188.27 g/mol, XLogP of 2.14, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(methoxymethoxy)octanal is sourced from PubChem (CID 134837019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).