1-[2-(3-methyldioxetan-3-yl)ethoxy]propan-2-ol

C8H16O4 — CID 58599589

IUPAC1-[2-(3-methyldioxetan-3-yl)ethoxy]propan-2-ol
SMILESCC(O)COCCC1(C)COO1
InChIInChI=1S/C8H16O4/c1-7(9)5-10-4-3-8(2)6-11-12-8/h7,9H,3-6H2,1-2H3
InChIKeySXNSMMJUVLBUJK-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.49
Rot. Bonds5

About 1-[2-(3-methyldioxetan-3-yl)ethoxy]propan-2-ol

1-[2-(3-methyldioxetan-3-yl)ethoxy]propan-2-ol (PubChem CID 58599589) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 1-[2-(3-methyldioxetan-3-yl)ethoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-(3-methyldioxetan-3-yl)ethoxy]propan-2-ol
PubChem CID58599589
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name1-[2-(3-methyldioxetan-3-yl)ethoxy]propan-2-ol
SMILESCC(O)COCCC1(C)COO1
InChIInChI=1S/C8H16O4/c1-7(9)5-10-4-3-8(2)6-11-12-8/h7,9H,3-6H2,1-2H3
InChIKeySXNSMMJUVLBUJK-UHFFFAOYSA-N
XLogP0.49
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-O-methylene-l-threitol
CID 129827709
4-Fluoro-3-[2-[2-hydroxy-3-(4-hydroxybutoxy)propoxy]ethoxy]-3-methylbutan-1-ol
CID 134254472
1-((tert-Butyl)dioxy)-3-ethoxy-2-propanol
CID 142291
1-(tert-Butyldioxy)-3-propoxy-2-propanol
CID 142292
2-Butoxy-3-(2-hydroxyethoxy)-3-methylbutan-1-ol
CID 18926681
1-Butoxy-3-[(3-ethyloxetan-3-yl)methoxy]propan-2-ol
CID 22673213
2-(4-Hydroperoxy-4-methylpentan-2-yl)oxypropan-1-ol
CID 23002567
1-(4-Hydroperoxy-4-methylpentan-2-yl)oxypropan-2-ol
CID 23002582
2-(4-Hydroperoxy-4-methylpentan-2-yl)oxyethanol
CID 23002603
2-[1-(2-Hydroxypropoxy)-2-(2-hydroxypropoxymethyl)butan-2-yl]oxypropan-1-ol
CID 23391634
2,2'-[{2-[(2-Hydroxyethoxy)methyl]-1,2-butanediyl}bis(oxy)]diethanol
CID 23391636
3-(3-Methoxy-3-methylbutoxy)propane-1,2-diol
CID 54116299

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methyldioxetan-3-yl)ethoxy]propan-2-ol?
The IUPAC name of 1-[2-(3-methyldioxetan-3-yl)ethoxy]propan-2-ol (CID 58599589) is 1-[2-(3-methyldioxetan-3-yl)ethoxy]propan-2-ol.
What is the SMILES notation for 1-[2-(3-methyldioxetan-3-yl)ethoxy]propan-2-ol?
The canonical SMILES for 1-[2-(3-methyldioxetan-3-yl)ethoxy]propan-2-ol is CC(O)COCCC1(C)COO1.
What is the InChIKey of 1-[2-(3-methyldioxetan-3-yl)ethoxy]propan-2-ol?
The InChIKey is SXNSMMJUVLBUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-7(9)5-10-4-3-8(2)6-11-12-8/h7,9H,3-6H2,1-2H3.
What are the key properties of 1-[2-(3-methyldioxetan-3-yl)ethoxy]propan-2-ol?
1-[2-(3-methyldioxetan-3-yl)ethoxy]propan-2-ol has a molecular weight of 176.21 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methyldioxetan-3-yl)ethoxy]propan-2-ol is sourced from PubChem (CID 58599589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).