(1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hexan-1-ol

C11H24O2Si — CID 14194986

IUPAC(1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hexan-1-ol
SMILESCCCCC[C@H](O)[C@@H]1O[C@H]1[Si](C)(C)C
InChIInChI=1S/C11H24O2Si/c1-5-6-7-8-9(12)10-11(13-10)14(2,3)4/h9-12H,5-8H2,1-4H3/t9-,10-,11-/m0/s1
InChIKeyRYCKFCVIPHTEGD-DCAQKATOSA-N
MW216.40 g/mol
LogP2.57
Rot. Bonds6

About (1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hexan-1-ol

(1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hexan-1-ol (PubChem CID 14194986) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is (1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hexan-1-ol.

Molecular Properties

Compound Name(1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hexan-1-ol
PubChem CID14194986
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Name(1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hexan-1-ol
SMILESCCCCC[C@H](O)[C@@H]1O[C@H]1[Si](C)(C)C
InChIInChI=1S/C11H24O2Si/c1-5-6-7-8-9(12)10-11(13-10)14(2,3)4/h9-12H,5-8H2,1-4H3/t9-,10-,11-/m0/s1
InChIKeyRYCKFCVIPHTEGD-DCAQKATOSA-N
XLogP2.57
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hexan-1-ol?
The IUPAC name of (1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hexan-1-ol (CID 14194986) is (1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hexan-1-ol.
What is the SMILES notation for (1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hexan-1-ol?
The canonical SMILES for (1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hexan-1-ol is CCCCC[C@H](O)[C@@H]1O[C@H]1[Si](C)(C)C.
What is the InChIKey of (1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hexan-1-ol?
The InChIKey is RYCKFCVIPHTEGD-DCAQKATOSA-N. The full InChI is InChI=1S/C11H24O2Si/c1-5-6-7-8-9(12)10-11(13-10)14(2,3)4/h9-12H,5-8H2,1-4H3/t9-,10-,11-/m0/s1.
What are the key properties of (1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hexan-1-ol?
(1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hexan-1-ol has a molecular weight of 216.40 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hexan-1-ol is sourced from PubChem (CID 14194986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).