2-(2-pentadecyloctadecyl)oxetan-2-ol

C36H72O2 — CID 69327091

IUPAC2-(2-pentadecyloctadecyl)oxetan-2-ol
SMILESCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCC)CC1(O)CCO1
InChIInChI=1S/C36H72O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35(34-36(37)32-33-38-36)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35,37H,3-34H2,1-2H3
InChIKeySUTYWVJBMQTJBJ-UHFFFAOYSA-N
MW536.97 g/mol
LogP12.45
Rot. Bonds31

About 2-(2-pentadecyloctadecyl)oxetan-2-ol

2-(2-pentadecyloctadecyl)oxetan-2-ol (PubChem CID 69327091) has the molecular formula C36H72O2 and a molecular weight of 536.97 g/mol. Its IUPAC name is 2-(2-pentadecyloctadecyl)oxetan-2-ol.

Molecular Properties

Compound Name2-(2-pentadecyloctadecyl)oxetan-2-ol
PubChem CID69327091
Molecular FormulaC36H72O2
Molecular Weight536.97 g/mol
Exact Mass536.55
IUPAC Name2-(2-pentadecyloctadecyl)oxetan-2-ol
SMILESCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCC)CC1(O)CCO1
InChIInChI=1S/C36H72O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35(34-36(37)32-33-38-36)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35,37H,3-34H2,1-2H3
InChIKeySUTYWVJBMQTJBJ-UHFFFAOYSA-N
XLogP12.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds31
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.97
LogP ≤ 512.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

13-pentylheptacosane
CID 91387927
10-octylicosane
CID 20514731
7-pentylheptadecane
CID 528528
15-pentylheptatriacontane
CID 91048198
7-pentylnonadecane
CID 59903423
8-heptyloctadecane
CID 173205504
9-hexylicosane
CID 54443478
18-hexyl-53-octyl-13-pentyl-48-tetradecylnonahexacontane
CID 162711023
11-pentylheptacosane
CID 91575569
17-pentylhexatriacontane
CID 91327833
6-pentyldocosane
CID 90762104
20,26-di(heptadecyl)pentatetracontane
CID 102213068

Frequently Asked Questions

What is the IUPAC name of 2-(2-pentadecyloctadecyl)oxetan-2-ol?
The IUPAC name of 2-(2-pentadecyloctadecyl)oxetan-2-ol (CID 69327091) is 2-(2-pentadecyloctadecyl)oxetan-2-ol.
What is the SMILES notation for 2-(2-pentadecyloctadecyl)oxetan-2-ol?
The canonical SMILES for 2-(2-pentadecyloctadecyl)oxetan-2-ol is CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCC)CC1(O)CCO1.
What is the InChIKey of 2-(2-pentadecyloctadecyl)oxetan-2-ol?
The InChIKey is SUTYWVJBMQTJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H72O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35(34-36(37)32-33-38-36)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35,37H,3-34H2,1-2H3.
What are the key properties of 2-(2-pentadecyloctadecyl)oxetan-2-ol?
2-(2-pentadecyloctadecyl)oxetan-2-ol has a molecular weight of 536.97 g/mol, XLogP of 12.45, 31 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pentadecyloctadecyl)oxetan-2-ol is sourced from PubChem (CID 69327091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).