[(2R,3S)-3,4-bis(2-dodecoxyethoxy)oxolan-2-yl]methanol

C33H66O6 — CID 166042635

IUPAC[(2R,3S)-3,4-bis(2-dodecoxyethoxy)oxolan-2-yl]methanol
SMILESCCCCCCCCCCCCOCCOC1CO[C@H](CO)[C@@H]1OCCOCCCCCCCCCCCC
InChIInChI=1S/C33H66O6/c1-3-5-7-9-11-13-15-17-19-21-23-35-25-27-37-32-30-39-31(29-34)33(32)38-28-26-36-24-22-20-18-16-14-12-10-8-6-4-2/h31-34H,3-30H2,1-2H3/t31-,32?,33+/m1/s1
InChIKeyANUUTHWCYGPHFU-SIURAHGXSA-N
MW558.89 g/mol
LogP8.02
Rot. Bonds31

About [(2R,3S)-3,4-bis(2-dodecoxyethoxy)oxolan-2-yl]methanol

[(2R,3S)-3,4-bis(2-dodecoxyethoxy)oxolan-2-yl]methanol (PubChem CID 166042635) has the molecular formula C33H66O6 and a molecular weight of 558.89 g/mol. Its IUPAC name is [(2R,3S)-3,4-bis(2-dodecoxyethoxy)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S)-3,4-bis(2-dodecoxyethoxy)oxolan-2-yl]methanol
PubChem CID166042635
Molecular FormulaC33H66O6
Molecular Weight558.89 g/mol
Exact Mass558.49
IUPAC Name[(2R,3S)-3,4-bis(2-dodecoxyethoxy)oxolan-2-yl]methanol
SMILESCCCCCCCCCCCCOCCOC1CO[C@H](CO)[C@@H]1OCCOCCCCCCCCCCCC
InChIInChI=1S/C33H66O6/c1-3-5-7-9-11-13-15-17-19-21-23-35-25-27-37-32-30-39-31(29-34)33(32)38-28-26-36-24-22-20-18-16-14-12-10-8-6-4-2/h31-34H,3-30H2,1-2H3/t31-,32?,33+/m1/s1
InChIKeyANUUTHWCYGPHFU-SIURAHGXSA-N
XLogP8.02
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds31
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.89
LogP ≤ 58.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-hexoxyhexane;oxiran-2-ylmethanol
CID 87532682
oxiran-2-ylmethanol;1-pentoxypentane
CID 174542251
2-methyloxirane;1-octadecoxyoctadecane
CID 88807513
2-ethyl-3-methoxy-4-pentoxyoxolane
CID 148653277
2-(2-hexoxyethoxy)ethanamine;2-(hydroxymethyl)oxan-3-ol
CID 176704836
2-[2-[[(2S)-3,4-bis[2-(2-hydroxyethoxy)ethoxy]oxolan-2-yl]-[2-(2-hydroxyethoxy)ethoxy]methoxy]ethoxy]ethyl dodecanoate
CID 58226406
(3S,3aR,6R,6aR)-6-octoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;(3R,3aR,6S,6aR)-6-octoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 157491589
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 71327488
2-[2-(2-tetradecoxyethoxy)ethoxymethyl]oxirane
CID 86199119
(3S,4S,5R)-5-(hydroxymethyl)-4-propoxyoxolan-3-ol
CID 135036867
[(2R,3R,4S)-3,4-dioctadecoxyoxolan-2-yl]methyl 1,4-dimethylpiperidine-4-carboxylate
CID 166042631
(2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-(2-hexadecoxyethoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 69103773

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3,4-bis(2-dodecoxyethoxy)oxolan-2-yl]methanol?
The IUPAC name of [(2R,3S)-3,4-bis(2-dodecoxyethoxy)oxolan-2-yl]methanol (CID 166042635) is [(2R,3S)-3,4-bis(2-dodecoxyethoxy)oxolan-2-yl]methanol.
What is the SMILES notation for [(2R,3S)-3,4-bis(2-dodecoxyethoxy)oxolan-2-yl]methanol?
The canonical SMILES for [(2R,3S)-3,4-bis(2-dodecoxyethoxy)oxolan-2-yl]methanol is CCCCCCCCCCCCOCCOC1CO[C@H](CO)[C@@H]1OCCOCCCCCCCCCCCC.
What is the InChIKey of [(2R,3S)-3,4-bis(2-dodecoxyethoxy)oxolan-2-yl]methanol?
The InChIKey is ANUUTHWCYGPHFU-SIURAHGXSA-N. The full InChI is InChI=1S/C33H66O6/c1-3-5-7-9-11-13-15-17-19-21-23-35-25-27-37-32-30-39-31(29-34)33(32)38-28-26-36-24-22-20-18-16-14-12-10-8-6-4-2/h31-34H,3-30H2,1-2H3/t31-,32?,33+/m1/s1.
What are the key properties of [(2R,3S)-3,4-bis(2-dodecoxyethoxy)oxolan-2-yl]methanol?
[(2R,3S)-3,4-bis(2-dodecoxyethoxy)oxolan-2-yl]methanol has a molecular weight of 558.89 g/mol, XLogP of 8.02, 31 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3,4-bis(2-dodecoxyethoxy)oxolan-2-yl]methanol is sourced from PubChem (CID 166042635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).