1-[(2R,3R)-3-decyloxiran-2-yl]-2,2-dimethylpropan-1-ol

C17H34O2 — CID 134997668

IUPAC1-[(2R,3R)-3-decyloxiran-2-yl]-2,2-dimethylpropan-1-ol
SMILESCCCCCCCCCC[C@H]1O[C@@H]1C(O)C(C)(C)C
InChIInChI=1S/C17H34O2/c1-5-6-7-8-9-10-11-12-13-14-15(19-14)16(18)17(2,3)4/h14-16,18H,5-13H2,1-4H3/t14-,15+,16?/m1/s1
InChIKeySJOSVIYLWOIZDQ-YSPPHNQVSA-N
MW270.46 g/mol
LogP4.69
Rot. Bonds10

About 1-[(2R,3R)-3-decyloxiran-2-yl]-2,2-dimethylpropan-1-ol

1-[(2R,3R)-3-decyloxiran-2-yl]-2,2-dimethylpropan-1-ol (PubChem CID 134997668) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-[(2R,3R)-3-decyloxiran-2-yl]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-[(2R,3R)-3-decyloxiran-2-yl]-2,2-dimethylpropan-1-ol
PubChem CID134997668
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name1-[(2R,3R)-3-decyloxiran-2-yl]-2,2-dimethylpropan-1-ol
SMILESCCCCCCCCCC[C@H]1O[C@@H]1C(O)C(C)(C)C
InChIInChI=1S/C17H34O2/c1-5-6-7-8-9-10-11-12-13-14-15(19-14)16(18)17(2,3)4/h14-16,18H,5-13H2,1-4H3/t14-,15+,16?/m1/s1
InChIKeySJOSVIYLWOIZDQ-YSPPHNQVSA-N
XLogP4.69
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R)-3-decyloxiran-2-yl]-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-[(2R,3R)-3-decyloxiran-2-yl]-2,2-dimethylpropan-1-ol (CID 134997668) is 1-[(2R,3R)-3-decyloxiran-2-yl]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-[(2R,3R)-3-decyloxiran-2-yl]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-[(2R,3R)-3-decyloxiran-2-yl]-2,2-dimethylpropan-1-ol is CCCCCCCCCC[C@H]1O[C@@H]1C(O)C(C)(C)C.
What is the InChIKey of 1-[(2R,3R)-3-decyloxiran-2-yl]-2,2-dimethylpropan-1-ol?
The InChIKey is SJOSVIYLWOIZDQ-YSPPHNQVSA-N. The full InChI is InChI=1S/C17H34O2/c1-5-6-7-8-9-10-11-12-13-14-15(19-14)16(18)17(2,3)4/h14-16,18H,5-13H2,1-4H3/t14-,15+,16?/m1/s1.
What are the key properties of 1-[(2R,3R)-3-decyloxiran-2-yl]-2,2-dimethylpropan-1-ol?
1-[(2R,3R)-3-decyloxiran-2-yl]-2,2-dimethylpropan-1-ol has a molecular weight of 270.46 g/mol, XLogP of 4.69, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R)-3-decyloxiran-2-yl]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 134997668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).