1-methoxy-3-(methoxymethyl)hex-5-en-2-ol

C9H18O3 — CID 54511644

IUPAC1-methoxy-3-(methoxymethyl)hex-5-en-2-ol
SMILESC=CCC(COC)C(O)COC
InChIInChI=1S/C9H18O3/c1-4-5-8(6-11-2)9(10)7-12-3/h4,8-10H,1,5-7H2,2-3H3
InChIKeyYJOCIIMCAHIEPE-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.83
Rot. Bonds7

About 1-methoxy-3-(methoxymethyl)hex-5-en-2-ol

1-methoxy-3-(methoxymethyl)hex-5-en-2-ol (PubChem CID 54511644) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-methoxy-3-(methoxymethyl)hex-5-en-2-ol.

Molecular Properties

Compound Name1-methoxy-3-(methoxymethyl)hex-5-en-2-ol
PubChem CID54511644
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name1-methoxy-3-(methoxymethyl)hex-5-en-2-ol
SMILESC=CCC(COC)C(O)COC
InChIInChI=1S/C9H18O3/c1-4-5-8(6-11-2)9(10)7-12-3/h4,8-10H,1,5-7H2,2-3H3
InChIKeyYJOCIIMCAHIEPE-UHFFFAOYSA-N
XLogP0.83
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 68664941
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(3R,4S)-4-ethenyl-2,5-dimethylhexane-2,3,5-triol
CID 162860351
(3S,4R)-4-ethenyl-2,5-dimethylhexane-2,3,5-triol
CID 162860352
2-(2-Methoxyethyl)-pent-4-en-1-ol
CID 22011259
(2R,3R,5E)-3-Methyl-5-heptene-1,2-diol
CID 13255032
(2R,3R,4S)-4-methoxyhept-6-ene-2,3-diol
CID 14758998
(2S,3S)-3-methylhept-6-ene-1,2-diol
CID 102243304
(1S)-1-[(2R,3R)-2-ethenyloxetan-3-yl]-2-methoxyethanol
CID 134995513
3-Prop-2-enylbutane-1,2,4-triol
CID 13198343
(2S,3S)-3-prop-2-enylbutane-1,2,4-triol
CID 13198344
(E)-3-methylhept-5-ene-1,2-diol
CID 13255031

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(methoxymethyl)hex-5-en-2-ol?
The IUPAC name of 1-methoxy-3-(methoxymethyl)hex-5-en-2-ol (CID 54511644) is 1-methoxy-3-(methoxymethyl)hex-5-en-2-ol.
What is the SMILES notation for 1-methoxy-3-(methoxymethyl)hex-5-en-2-ol?
The canonical SMILES for 1-methoxy-3-(methoxymethyl)hex-5-en-2-ol is C=CCC(COC)C(O)COC.
What is the InChIKey of 1-methoxy-3-(methoxymethyl)hex-5-en-2-ol?
The InChIKey is YJOCIIMCAHIEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-4-5-8(6-11-2)9(10)7-12-3/h4,8-10H,1,5-7H2,2-3H3.
What are the key properties of 1-methoxy-3-(methoxymethyl)hex-5-en-2-ol?
1-methoxy-3-(methoxymethyl)hex-5-en-2-ol has a molecular weight of 174.24 g/mol, XLogP of 0.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(methoxymethyl)hex-5-en-2-ol is sourced from PubChem (CID 54511644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).