(3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-ol

C12H26O2Si — CID 11470271

IUPAC(3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-ol
SMILESC=CC[C@H](O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-7-8-11(13)9-10-14-15(5,6)12(2,3)4/h7,11,13H,1,8-10H2,2-6H3/t11-/m0/s1
InChIKeyYPXHYWAGAHVDOR-NSHDSACASA-N
MW230.42 g/mol
LogP3.34
Rot. Bonds6

About (3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-ol

(3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-ol (PubChem CID 11470271) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is (3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-ol.

Molecular Properties

Compound Name(3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-ol
PubChem CID11470271
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name(3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-ol
SMILESC=CC[C@H](O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-7-8-11(13)9-10-14-15(5,6)12(2,3)4/h7,11,13H,1,8-10H2,2-6H3/t11-/m0/s1
InChIKeyYPXHYWAGAHVDOR-NSHDSACASA-N
XLogP3.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-ol?
The IUPAC name of (3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-ol (CID 11470271) is (3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-ol.
What is the SMILES notation for (3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-ol?
The canonical SMILES for (3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-ol is C=CC[C@H](O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-ol?
The InChIKey is YPXHYWAGAHVDOR-NSHDSACASA-N. The full InChI is InChI=1S/C12H26O2Si/c1-7-8-11(13)9-10-14-15(5,6)12(2,3)4/h7,11,13H,1,8-10H2,2-6H3/t11-/m0/s1.
What are the key properties of (3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-ol?
(3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-ol has a molecular weight of 230.42 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-ol is sourced from PubChem (CID 11470271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).