1-[3-[2-hydroxy-3-(oxiran-2-ylmethoxymethoxy)propoxy]propoxy]-3-(3-methoxypropoxy)propan-2-ol

C17H34O9 — CID 175354226

IUPAC1-[3-[2-hydroxy-3-(oxiran-2-ylmethoxymethoxy)propoxy]propoxy]-3-(3-methoxypropoxy)propan-2-ol
SMILESCOCCCOCC(O)COCCCOCC(O)COCOCC1CO1
InChIInChI=1S/C17H34O9/c1-20-4-2-5-21-8-15(18)9-22-6-3-7-23-10-16(19)11-24-14-25-12-17-13-26-17/h15-19H,2-14H2,1H3
InChIKeyFALXWOIZCHAELE-UHFFFAOYSA-N
MW382.45 g/mol
LogP-0.43
Rot. Bonds20

About 1-[3-[2-hydroxy-3-(oxiran-2-ylmethoxymethoxy)propoxy]propoxy]-3-(3-methoxypropoxy)propan-2-ol

1-[3-[2-hydroxy-3-(oxiran-2-ylmethoxymethoxy)propoxy]propoxy]-3-(3-methoxypropoxy)propan-2-ol (PubChem CID 175354226) has the molecular formula C17H34O9 and a molecular weight of 382.45 g/mol. Its IUPAC name is 1-[3-[2-hydroxy-3-(oxiran-2-ylmethoxymethoxy)propoxy]propoxy]-3-(3-methoxypropoxy)propan-2-ol.

Molecular Properties

Compound Name1-[3-[2-hydroxy-3-(oxiran-2-ylmethoxymethoxy)propoxy]propoxy]-3-(3-methoxypropoxy)propan-2-ol
PubChem CID175354226
Molecular FormulaC17H34O9
Molecular Weight382.45 g/mol
Exact Mass382.22
IUPAC Name1-[3-[2-hydroxy-3-(oxiran-2-ylmethoxymethoxy)propoxy]propoxy]-3-(3-methoxypropoxy)propan-2-ol
SMILESCOCCCOCC(O)COCCCOCC(O)COCOCC1CO1
InChIInChI=1S/C17H34O9/c1-20-4-2-5-21-8-15(18)9-22-6-3-7-23-10-16(19)11-24-14-25-12-17-13-26-17/h15-19H,2-14H2,1H3
InChIKeyFALXWOIZCHAELE-UHFFFAOYSA-N
XLogP-0.43
TPSA108.37 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-3-[4-(oxiran-2-ylmethoxy)butoxy]propan-2-ol;2-[4-(oxiran-2-ylmethoxy)butoxymethyl]oxirane
CID 162098827
(2R)-2-(3-methoxypropoxymethyl)oxirane
CID 130493223
bis(1-methanidyloxy-3-[3-(oxiran-2-ylmethoxy)propoxy]propan-2-ol);rutherfordium
CID 177273640
methane;1-(oxiran-2-ylmethoxymethoxy)-3-(oxiran-2-yloxymethoxy)propan-2-ol
CID 162201980
2-[3-[2-(3-methoxypropoxy)ethoxy]propoxymethyl]oxirane
CID 101393644
2-(4-methoxybutoxymethyl)oxirane
CID 58151519
1-(cyclopropylmethoxy)-3-(oxiran-2-ylmethoxy)propan-2-ol
CID 58856737
2-[[(Z)-octadec-9-enoxy]methyl]oxirane;1-[(Z)-octadec-9-enoxy]-3-octoxypropan-2-ol
CID 158034991
1-[3-(oxiran-2-yl)propoxy]butan-2-ol
CID 140851911
1-methoxy-3-[3-(2-methoxyethoxy)propoxy]propan-2-ol
CID 107508453
1-butoxy-3-[(2R,4R)-4-[2-hydroxy-3-(oxiran-2-ylmethoxy)propoxy]-2-methoxy-5-methyloxan-3-yl]oxypropan-2-ol
CID 90087132
2-[3-(2-methylbutoxy)propoxymethyl]oxirane
CID 167130751

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-hydroxy-3-(oxiran-2-ylmethoxymethoxy)propoxy]propoxy]-3-(3-methoxypropoxy)propan-2-ol?
The IUPAC name of 1-[3-[2-hydroxy-3-(oxiran-2-ylmethoxymethoxy)propoxy]propoxy]-3-(3-methoxypropoxy)propan-2-ol (CID 175354226) is 1-[3-[2-hydroxy-3-(oxiran-2-ylmethoxymethoxy)propoxy]propoxy]-3-(3-methoxypropoxy)propan-2-ol.
What is the SMILES notation for 1-[3-[2-hydroxy-3-(oxiran-2-ylmethoxymethoxy)propoxy]propoxy]-3-(3-methoxypropoxy)propan-2-ol?
The canonical SMILES for 1-[3-[2-hydroxy-3-(oxiran-2-ylmethoxymethoxy)propoxy]propoxy]-3-(3-methoxypropoxy)propan-2-ol is COCCCOCC(O)COCCCOCC(O)COCOCC1CO1.
What is the InChIKey of 1-[3-[2-hydroxy-3-(oxiran-2-ylmethoxymethoxy)propoxy]propoxy]-3-(3-methoxypropoxy)propan-2-ol?
The InChIKey is FALXWOIZCHAELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O9/c1-20-4-2-5-21-8-15(18)9-22-6-3-7-23-10-16(19)11-24-14-25-12-17-13-26-17/h15-19H,2-14H2,1H3.
What are the key properties of 1-[3-[2-hydroxy-3-(oxiran-2-ylmethoxymethoxy)propoxy]propoxy]-3-(3-methoxypropoxy)propan-2-ol?
1-[3-[2-hydroxy-3-(oxiran-2-ylmethoxymethoxy)propoxy]propoxy]-3-(3-methoxypropoxy)propan-2-ol has a molecular weight of 382.45 g/mol, XLogP of -0.43, 20 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-hydroxy-3-(oxiran-2-ylmethoxymethoxy)propoxy]propoxy]-3-(3-methoxypropoxy)propan-2-ol is sourced from PubChem (CID 175354226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).