(2R)-2-(hexadecoxymethyl)butan-1-ol

C21H44O2 — CID 134215286

IUPAC(2R)-2-(hexadecoxymethyl)butan-1-ol
SMILESCCCCCCCCCCCCCCCCOC[C@H](CC)CO
InChIInChI=1S/C21H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-20-21(4-2)19-22/h21-22H,3-20H2,1-2H3/t21-/m1/s1
InChIKeyVNQHTLFKLGOHJT-OAQYLSRUSA-N
MW328.58 g/mol
LogP6.50
Rot. Bonds19

About (2R)-2-(hexadecoxymethyl)butan-1-ol

(2R)-2-(hexadecoxymethyl)butan-1-ol (PubChem CID 134215286) has the molecular formula C21H44O2 and a molecular weight of 328.58 g/mol. Its IUPAC name is (2R)-2-(hexadecoxymethyl)butan-1-ol.

Molecular Properties

Compound Name(2R)-2-(hexadecoxymethyl)butan-1-ol
PubChem CID134215286
Molecular FormulaC21H44O2
Molecular Weight328.58 g/mol
Exact Mass328.33
IUPAC Name(2R)-2-(hexadecoxymethyl)butan-1-ol
SMILESCCCCCCCCCCCCCCCCOC[C@H](CC)CO
InChIInChI=1S/C21H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-20-21(4-2)19-22/h21-22H,3-20H2,1-2H3/t21-/m1/s1
InChIKeyVNQHTLFKLGOHJT-OAQYLSRUSA-N
XLogP6.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.58
LogP ≤ 56.50
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

2-(decoxymethyl)propane-1,3-diol
CID 138675067
2-(butoxymethyl)butan-1-ol
CID 20660357
1-(2-ethylbutoxy)decane
CID 22002893
2-(fluoromethyl)-3-hexadecoxypropan-1-ol
CID 21299142
decane;ethane;1-(2-ethyloctoxy)tetradecane
CID 155743358
1-[4-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]butoxy]dodecane
CID 129302674
2-(hexadecoxymethyl)henicos-4-yn-1-ol
CID 19764322
2-methyl-3-undecoxypropan-1-ol
CID 138675065
(2S)-3-octadecoxypropane-1,2-diol
CID 10860876
6-(heptoxymethyl)tridecane
CID 87840359
7-(nonoxymethyl)pentadecane
CID 86224814
9-(tetradecoxymethyl)nonadecane
CID 142746550

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(hexadecoxymethyl)butan-1-ol?
The IUPAC name of (2R)-2-(hexadecoxymethyl)butan-1-ol (CID 134215286) is (2R)-2-(hexadecoxymethyl)butan-1-ol.
What is the SMILES notation for (2R)-2-(hexadecoxymethyl)butan-1-ol?
The canonical SMILES for (2R)-2-(hexadecoxymethyl)butan-1-ol is CCCCCCCCCCCCCCCCOC[C@H](CC)CO.
What is the InChIKey of (2R)-2-(hexadecoxymethyl)butan-1-ol?
The InChIKey is VNQHTLFKLGOHJT-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-20-21(4-2)19-22/h21-22H,3-20H2,1-2H3/t21-/m1/s1.
What are the key properties of (2R)-2-(hexadecoxymethyl)butan-1-ol?
(2R)-2-(hexadecoxymethyl)butan-1-ol has a molecular weight of 328.58 g/mol, XLogP of 6.50, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(hexadecoxymethyl)butan-1-ol is sourced from PubChem (CID 134215286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).