2-(hydroxymethoxy)-3-(2-hydroxypent-4-enoxy)-3-methylbutan-1-ol

C11H22O5 — CID 129103242

IUPAC2-(hydroxymethoxy)-3-(2-hydroxypent-4-enoxy)-3-methylbutan-1-ol
SMILESC=CCC(O)COC(C)(C)C(CO)OCO
InChIInChI=1S/C11H22O5/c1-4-5-9(14)7-16-11(2,3)10(6-12)15-8-13/h4,9-10,12-14H,1,5-8H2,2-3H3
InChIKeyJSZIJUWTQVCXFN-UHFFFAOYSA-N
MW234.29 g/mol
LogP0.05
Rot. Bonds9

About 2-(hydroxymethoxy)-3-(2-hydroxypent-4-enoxy)-3-methylbutan-1-ol

2-(hydroxymethoxy)-3-(2-hydroxypent-4-enoxy)-3-methylbutan-1-ol (PubChem CID 129103242) has the molecular formula C11H22O5 and a molecular weight of 234.29 g/mol. Its IUPAC name is 2-(hydroxymethoxy)-3-(2-hydroxypent-4-enoxy)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(hydroxymethoxy)-3-(2-hydroxypent-4-enoxy)-3-methylbutan-1-ol
PubChem CID129103242
Molecular FormulaC11H22O5
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name2-(hydroxymethoxy)-3-(2-hydroxypent-4-enoxy)-3-methylbutan-1-ol
SMILESC=CCC(O)COC(C)(C)C(CO)OCO
InChIInChI=1S/C11H22O5/c1-4-5-9(14)7-16-11(2,3)10(6-12)15-8-13/h4,9-10,12-14H,1,5-8H2,2-3H3
InChIKeyJSZIJUWTQVCXFN-UHFFFAOYSA-N
XLogP0.05
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(4R)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxolan-4-yl]methanol
CID 14190096
1-[1-(2-Methoxyethoxymethoxy)cyclopropyl]prop-2-en-1-ol
CID 134877642
(2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-ene-1,2-diol
CID 102301312
(2,2-Dimethyl-4-prop-2-enyl-1,3-dioxolan-4-yl)methanol
CID 14190095
[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxolan-4-yl]methanol
CID 14190097
(R)-2-[(2-methoxyethoxy)methoxy]pent-4-en-1-ol
CID 25128745
2-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran-3,4-diol
CID 59584432
2-(2-Methoxyethoxymethoxy)pent-4-en-1-ol
CID 74389573
1-[2-(2-Hydroxyethoxy)ethoxy]-2-methylpent-4-en-2-ol
CID 87244320
2-(1-Hydroxy-2-methylpent-4-en-2-yl)oxy-2-methylpent-4-en-1-ol
CID 87872077
1-Ethoxy-1-methoxypent-4-ene-1,2-diol
CID 88326111
1-Ethoxypent-4-en-2-ol;propane-1,1-diol
CID 88433400

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethoxy)-3-(2-hydroxypent-4-enoxy)-3-methylbutan-1-ol?
The IUPAC name of 2-(hydroxymethoxy)-3-(2-hydroxypent-4-enoxy)-3-methylbutan-1-ol (CID 129103242) is 2-(hydroxymethoxy)-3-(2-hydroxypent-4-enoxy)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(hydroxymethoxy)-3-(2-hydroxypent-4-enoxy)-3-methylbutan-1-ol?
The canonical SMILES for 2-(hydroxymethoxy)-3-(2-hydroxypent-4-enoxy)-3-methylbutan-1-ol is C=CCC(O)COC(C)(C)C(CO)OCO.
What is the InChIKey of 2-(hydroxymethoxy)-3-(2-hydroxypent-4-enoxy)-3-methylbutan-1-ol?
The InChIKey is JSZIJUWTQVCXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O5/c1-4-5-9(14)7-16-11(2,3)10(6-12)15-8-13/h4,9-10,12-14H,1,5-8H2,2-3H3.
What are the key properties of 2-(hydroxymethoxy)-3-(2-hydroxypent-4-enoxy)-3-methylbutan-1-ol?
2-(hydroxymethoxy)-3-(2-hydroxypent-4-enoxy)-3-methylbutan-1-ol has a molecular weight of 234.29 g/mol, XLogP of 0.05, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethoxy)-3-(2-hydroxypent-4-enoxy)-3-methylbutan-1-ol is sourced from PubChem (CID 129103242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).