6-hydroxy-3-(methoxymethoxy)hex-1-en-1-one

C8H14O4 — CID 134874021

IUPAC6-hydroxy-3-(methoxymethoxy)hex-1-en-1-one
SMILESCOCOC(C=C=O)CCCO
InChIInChI=1S/C8H14O4/c1-11-7-12-8(4-6-10)3-2-5-9/h4,8-9H,2-3,5,7H2,1H3
InChIKeyHUCGRPKQYRYLNY-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.14
Rot. Bonds7

About 6-hydroxy-3-(methoxymethoxy)hex-1-en-1-one

6-hydroxy-3-(methoxymethoxy)hex-1-en-1-one (PubChem CID 134874021) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 6-hydroxy-3-(methoxymethoxy)hex-1-en-1-one.

Molecular Properties

Compound Name6-hydroxy-3-(methoxymethoxy)hex-1-en-1-one
PubChem CID134874021
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name6-hydroxy-3-(methoxymethoxy)hex-1-en-1-one
SMILESCOCOC(C=C=O)CCCO
InChIInChI=1S/C8H14O4/c1-11-7-12-8(4-6-10)3-2-5-9/h4,8-9H,2-3,5,7H2,1H3
InChIKeyHUCGRPKQYRYLNY-UHFFFAOYSA-N
XLogP0.14
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,5R)-5-(methoxymethoxy)hept-6-en-2-ol
CID 44604186
(2S,5S)-5-(methoxymethoxy)hept-6-en-2-ol
CID 134859752
(4S)-4-(methoxymethoxy)hex-5-en-1-ol
CID 90001937
4-(Methoxymethoxy)hex-5-en-1-ol
CID 118250639
(4R)-4-(methoxymethoxy)hex-5-en-1-ol
CID 122548096
(2S,5R)-5-(methoxymethoxy)hept-6-en-2-ol
CID 24938599
4-(2-Methoxyethoxymethoxy)hex-5-en-1-ol
CID 86181897

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-(methoxymethoxy)hex-1-en-1-one?
The IUPAC name of 6-hydroxy-3-(methoxymethoxy)hex-1-en-1-one (CID 134874021) is 6-hydroxy-3-(methoxymethoxy)hex-1-en-1-one.
What is the SMILES notation for 6-hydroxy-3-(methoxymethoxy)hex-1-en-1-one?
The canonical SMILES for 6-hydroxy-3-(methoxymethoxy)hex-1-en-1-one is COCOC(C=C=O)CCCO.
What is the InChIKey of 6-hydroxy-3-(methoxymethoxy)hex-1-en-1-one?
The InChIKey is HUCGRPKQYRYLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-11-7-12-8(4-6-10)3-2-5-9/h4,8-9H,2-3,5,7H2,1H3.
What are the key properties of 6-hydroxy-3-(methoxymethoxy)hex-1-en-1-one?
6-hydroxy-3-(methoxymethoxy)hex-1-en-1-one has a molecular weight of 174.20 g/mol, XLogP of 0.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-(methoxymethoxy)hex-1-en-1-one is sourced from PubChem (CID 134874021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).