1-[2-(2-hydroxydodecoxy)ethoxy]dodecan-2-ol

C26H54O4 — CID 11796902

IUPAC1-[2-(2-hydroxydodecoxy)ethoxy]dodecan-2-ol
SMILESCCCCCCCCCCC(O)COCCOCC(O)CCCCCCCCCC
InChIInChI=1S/C26H54O4/c1-3-5-7-9-11-13-15-17-19-25(27)23-29-21-22-30-24-26(28)20-18-16-14-12-10-8-6-4-2/h25-28H,3-24H2,1-2H3
InChIKeyVCXXUNWUNIGCKP-UHFFFAOYSA-N
MW430.71 g/mol
LogP6.80
Rot. Bonds25

About 1-[2-(2-hydroxydodecoxy)ethoxy]dodecan-2-ol

1-[2-(2-hydroxydodecoxy)ethoxy]dodecan-2-ol (PubChem CID 11796902) has the molecular formula C26H54O4 and a molecular weight of 430.71 g/mol. Its IUPAC name is 1-[2-(2-hydroxydodecoxy)ethoxy]dodecan-2-ol.

Molecular Properties

Compound Name1-[2-(2-hydroxydodecoxy)ethoxy]dodecan-2-ol
PubChem CID11796902
Molecular FormulaC26H54O4
Molecular Weight430.71 g/mol
Exact Mass430.40
IUPAC Name1-[2-(2-hydroxydodecoxy)ethoxy]dodecan-2-ol
SMILESCCCCCCCCCCC(O)COCCOCC(O)CCCCCCCCCC
InChIInChI=1S/C26H54O4/c1-3-5-7-9-11-13-15-17-19-25(27)23-29-21-22-30-24-26(28)20-18-16-14-12-10-8-6-4-2/h25-28H,3-24H2,1-2H3
InChIKeyVCXXUNWUNIGCKP-UHFFFAOYSA-N
XLogP6.80
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.71
LogP ≤ 56.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-octoxydecan-2-ol
CID 57119039
1-octadecoxyicosan-2-ol
CID 88758338
1-[2-(2-methoxyethoxy)ethoxy]octan-2-ol
CID 150741605
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tetradecan-2-ol
CID 139267706
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-2-ol
CID 140523672
1-[2-(2-ethylhexoxy)ethoxy]decan-2-ol
CID 165350340
azane;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;hydrate
CID 173484113
(2S)-3-[(2R)-2-hydroxynonadecoxy]propane-1,2-diol
CID 137323866
1,4-dioctoxybutan-2-ol
CID 91047029
(2S)-3-[(2R)-2-hydroxytetradecoxy]propane-1,2-diol
CID 137323862
(2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol
CID 40535127
1-[1-(2-butoxyethoxy)pentadecan-2-yloxy]pentadecan-2-ol
CID 169296847

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxydodecoxy)ethoxy]dodecan-2-ol?
The IUPAC name of 1-[2-(2-hydroxydodecoxy)ethoxy]dodecan-2-ol (CID 11796902) is 1-[2-(2-hydroxydodecoxy)ethoxy]dodecan-2-ol.
What is the SMILES notation for 1-[2-(2-hydroxydodecoxy)ethoxy]dodecan-2-ol?
The canonical SMILES for 1-[2-(2-hydroxydodecoxy)ethoxy]dodecan-2-ol is CCCCCCCCCCC(O)COCCOCC(O)CCCCCCCCCC.
What is the InChIKey of 1-[2-(2-hydroxydodecoxy)ethoxy]dodecan-2-ol?
The InChIKey is VCXXUNWUNIGCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54O4/c1-3-5-7-9-11-13-15-17-19-25(27)23-29-21-22-30-24-26(28)20-18-16-14-12-10-8-6-4-2/h25-28H,3-24H2,1-2H3.
What are the key properties of 1-[2-(2-hydroxydodecoxy)ethoxy]dodecan-2-ol?
1-[2-(2-hydroxydodecoxy)ethoxy]dodecan-2-ol has a molecular weight of 430.71 g/mol, XLogP of 6.80, 25 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxydodecoxy)ethoxy]dodecan-2-ol is sourced from PubChem (CID 11796902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).