(2R)-2-hexadecyl-2,4-dimethyloxetane

C21H42O — CID 11638167

IUPAC(2R)-2-hexadecyl-2,4-dimethyloxetane
SMILESCCCCCCCCCCCCCCCC[C@]1(C)CC(C)O1
InChIInChI=1S/C21H42O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(3)19-20(2)22-21/h20H,4-19H2,1-3H3/t20?,21-/m1/s1
InChIKeyDINNCUYCWFIJEB-BPGUCPLFSA-N
MW310.57 g/mol
LogP7.43
Rot. Bonds15

About (2R)-2-hexadecyl-2,4-dimethyloxetane

(2R)-2-hexadecyl-2,4-dimethyloxetane (PubChem CID 11638167) has the molecular formula C21H42O and a molecular weight of 310.57 g/mol. Its IUPAC name is (2R)-2-hexadecyl-2,4-dimethyloxetane.

Molecular Properties

Compound Name(2R)-2-hexadecyl-2,4-dimethyloxetane
PubChem CID11638167
Molecular FormulaC21H42O
Molecular Weight310.57 g/mol
Exact Mass310.32
IUPAC Name(2R)-2-hexadecyl-2,4-dimethyloxetane
SMILESCCCCCCCCCCCCCCCC[C@]1(C)CC(C)O1
InChIInChI=1S/C21H42O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(3)19-20(2)22-21/h20H,4-19H2,1-3H3/t20?,21-/m1/s1
InChIKeyDINNCUYCWFIJEB-BPGUCPLFSA-N
XLogP7.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.57
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-icosyl-2-methyloxirane
CID 87753382
2-methyl-2-nonadecyloxirane
CID 87754306
2-hexadecyl-2-methyloxirane
CID 87444144
azane;2,3-dimethyl-2-octadecyloxirane;hydrochloride
CID 175468906
2-hexyl-2,4-dimethyloxane
CID 164909454
2-methyl-2-pentyloxirane
CID 559073
5-hexyl-5-methyloxolan-2-ol
CID 134558115
(2R,4S)-4-hexyl-4,6,6-trimethyl-2-propan-2-yl-1,3-dioxane
CID 134936917
(2R,6S)-4,4,6-trimethyl-2-octyl-1,3-dioxane
CID 98092863
2-heptyl-2-methyloxolane
CID 66630336
cis-(1R,2S)-2-methyl-2-nonylcyclopropan-1-ol
CID 102123339
1,3-dimethyl-1-pentylcyclobutane;ethane
CID 171802014

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hexadecyl-2,4-dimethyloxetane?
The IUPAC name of (2R)-2-hexadecyl-2,4-dimethyloxetane (CID 11638167) is (2R)-2-hexadecyl-2,4-dimethyloxetane.
What is the SMILES notation for (2R)-2-hexadecyl-2,4-dimethyloxetane?
The canonical SMILES for (2R)-2-hexadecyl-2,4-dimethyloxetane is CCCCCCCCCCCCCCCC[C@]1(C)CC(C)O1.
What is the InChIKey of (2R)-2-hexadecyl-2,4-dimethyloxetane?
The InChIKey is DINNCUYCWFIJEB-BPGUCPLFSA-N. The full InChI is InChI=1S/C21H42O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(3)19-20(2)22-21/h20H,4-19H2,1-3H3/t20?,21-/m1/s1.
What are the key properties of (2R)-2-hexadecyl-2,4-dimethyloxetane?
(2R)-2-hexadecyl-2,4-dimethyloxetane has a molecular weight of 310.57 g/mol, XLogP of 7.43, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hexadecyl-2,4-dimethyloxetane is sourced from PubChem (CID 11638167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).