1-methoxy-2-(methoxymethyl)pent-4-en-2-ol

C8H16O3 — CID 176894840

IUPAC1-methoxy-2-(methoxymethyl)pent-4-en-2-ol
SMILESC=CCC(O)(COC)COC
InChIInChI=1S/C8H16O3/c1-4-5-8(9,6-10-2)7-11-3/h4,9H,1,5-7H2,2-3H3
InChIKeyJSUVBVCHLNYFOC-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.59
Rot. Bonds6

About 1-methoxy-2-(methoxymethyl)pent-4-en-2-ol

1-methoxy-2-(methoxymethyl)pent-4-en-2-ol (PubChem CID 176894840) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 1-methoxy-2-(methoxymethyl)pent-4-en-2-ol.

Molecular Properties

Compound Name1-methoxy-2-(methoxymethyl)pent-4-en-2-ol
PubChem CID176894840
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name1-methoxy-2-(methoxymethyl)pent-4-en-2-ol
SMILESC=CCC(O)(COC)COC
InChIInChI=1S/C8H16O3/c1-4-5-8(9,6-10-2)7-11-3/h4,9H,1,5-7H2,2-3H3
InChIKeyJSUVBVCHLNYFOC-UHFFFAOYSA-N
XLogP0.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.59
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

3-(Prop-2-en-1-yl)oxetan-3-ol
CID 55280862
2-Allylpropane-1,2,3-triol
CID 16126086
Diallyl diethylene glycol
CID 22034395
Allyl glycidol
CID 129703128
(2S)-2-methylpent-4-ene-1,2-diol
CID 10887876
[(2S)-2-prop-2-enyloxiran-2-yl]methanol
CID 131063625
[(2S)-2-[(2E)-6-methylhepta-2,5-dienyl]oxiran-2-yl]methanol
CID 134973228
4-[(3-Methyloxetan-3-yl)oxymethyl]hepta-1,6-dien-4-ol
CID 162404747
[(2S)-2-methyl-5,5-bis(prop-2-enyl)-1,4-dioxan-2-yl]methanol
CID 162408373
[(2S)-2-prop-2-enyl-1,4-dioxan-2-yl]methanol
CID 162408582
1-Methyl-3-butenyl 3-methyl-3-hydroxybutyl ether
CID 534863
2-Methyl-2-prop-2-enoxypent-4-en-1-ol
CID 10583026

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(methoxymethyl)pent-4-en-2-ol?
The IUPAC name of 1-methoxy-2-(methoxymethyl)pent-4-en-2-ol (CID 176894840) is 1-methoxy-2-(methoxymethyl)pent-4-en-2-ol.
What is the SMILES notation for 1-methoxy-2-(methoxymethyl)pent-4-en-2-ol?
The canonical SMILES for 1-methoxy-2-(methoxymethyl)pent-4-en-2-ol is C=CCC(O)(COC)COC.
What is the InChIKey of 1-methoxy-2-(methoxymethyl)pent-4-en-2-ol?
The InChIKey is JSUVBVCHLNYFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-4-5-8(9,6-10-2)7-11-3/h4,9H,1,5-7H2,2-3H3.
What are the key properties of 1-methoxy-2-(methoxymethyl)pent-4-en-2-ol?
1-methoxy-2-(methoxymethyl)pent-4-en-2-ol has a molecular weight of 160.21 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(methoxymethyl)pent-4-en-2-ol is sourced from PubChem (CID 176894840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).