[(2S)-2-(octadecoxymethyl)oxolan-2-yl]methanol

C24H48O3 — CID 10667755

IUPAC[(2S)-2-(octadecoxymethyl)oxolan-2-yl]methanol
SMILESCCCCCCCCCCCCCCCCCCOC[C@@]1(CO)CCCO1
InChIInChI=1S/C24H48O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-23-24(22-25)19-18-21-27-24/h25H,2-23H2,1H3/t24-/m0/s1
InChIKeyCVBYQXBQHNZALC-DEOSSOPVSA-N
MW384.65 g/mol
LogP6.81
Rot. Bonds20

About [(2S)-2-(octadecoxymethyl)oxolan-2-yl]methanol

[(2S)-2-(octadecoxymethyl)oxolan-2-yl]methanol (PubChem CID 10667755) has the molecular formula C24H48O3 and a molecular weight of 384.65 g/mol. Its IUPAC name is [(2S)-2-(octadecoxymethyl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-2-(octadecoxymethyl)oxolan-2-yl]methanol
PubChem CID10667755
Molecular FormulaC24H48O3
Molecular Weight384.65 g/mol
Exact Mass384.36
IUPAC Name[(2S)-2-(octadecoxymethyl)oxolan-2-yl]methanol
SMILESCCCCCCCCCCCCCCCCCCOC[C@@]1(CO)CCCO1
InChIInChI=1S/C24H48O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-23-24(22-25)19-18-21-27-24/h25H,2-23H2,1H3/t24-/m0/s1
InChIKeyCVBYQXBQHNZALC-DEOSSOPVSA-N
XLogP6.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.65
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-hydroxy-2-[hydroxy-[[2-(octadecoxymethyl)oxolan-2-yl]methoxy]phosphoryl]oxyethyl]-trimethylazanium
CID 67942327
[2-(octoxymethyl)oxan-2-yl]silane
CID 123215411
(2-propyloxan-2-yl)methanol
CID 130609944
2-ethyl-2-(pentoxymethyl)oxirane
CID 175272584
1-(dimethylamino)pentan-3-yl [2-(octadecoxymethyl)oxolan-2-yl]methyl hydrogen phosphate
CID 143491076
2-(heptoxymethyl)-2-methyloxirane
CID 23468444
1-(pentoxymethyl)cyclohexan-1-amine
CID 64572474
2-methyl-2-(pentoxymethyl)oxirane
CID 23468435
2-(2-ethyloxolan-2-yl)ethanol
CID 142632895
3,3-bis(octoxymethyl)oxetane
CID 58963686
2-butyl-2-ethyloxolane;methane
CID 159867268
[(2S)-2-octyloxiran-2-yl]methanol
CID 11041465

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(octadecoxymethyl)oxolan-2-yl]methanol?
The IUPAC name of [(2S)-2-(octadecoxymethyl)oxolan-2-yl]methanol (CID 10667755) is [(2S)-2-(octadecoxymethyl)oxolan-2-yl]methanol.
What is the SMILES notation for [(2S)-2-(octadecoxymethyl)oxolan-2-yl]methanol?
The canonical SMILES for [(2S)-2-(octadecoxymethyl)oxolan-2-yl]methanol is CCCCCCCCCCCCCCCCCCOC[C@@]1(CO)CCCO1.
What is the InChIKey of [(2S)-2-(octadecoxymethyl)oxolan-2-yl]methanol?
The InChIKey is CVBYQXBQHNZALC-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H48O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-23-24(22-25)19-18-21-27-24/h25H,2-23H2,1H3/t24-/m0/s1.
What are the key properties of [(2S)-2-(octadecoxymethyl)oxolan-2-yl]methanol?
[(2S)-2-(octadecoxymethyl)oxolan-2-yl]methanol has a molecular weight of 384.65 g/mol, XLogP of 6.81, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(octadecoxymethyl)oxolan-2-yl]methanol is sourced from PubChem (CID 10667755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).