(3S)-3-propan-2-yl-1-trimethylsilylhex-5-en-1-yn-3-ol

C12H22OSi — CID 11009211

IUPAC(3S)-3-propan-2-yl-1-trimethylsilylhex-5-en-1-yn-3-ol
SMILESC=CC[C@@](O)(C#C[Si](C)(C)C)C(C)C
InChIInChI=1S/C12H22OSi/c1-7-8-12(13,11(2)3)9-10-14(4,5)6/h7,11,13H,1,8H2,2-6H3/t12-/m1/s1
InChIKeyDHWCFRAFGHNTKW-GFCCVEGCSA-N
MW210.39 g/mol
LogP2.83
Rot. Bonds3

About (3S)-3-propan-2-yl-1-trimethylsilylhex-5-en-1-yn-3-ol

(3S)-3-propan-2-yl-1-trimethylsilylhex-5-en-1-yn-3-ol (PubChem CID 11009211) has the molecular formula C12H22OSi and a molecular weight of 210.39 g/mol. Its IUPAC name is (3S)-3-propan-2-yl-1-trimethylsilylhex-5-en-1-yn-3-ol.

Molecular Properties

Compound Name(3S)-3-propan-2-yl-1-trimethylsilylhex-5-en-1-yn-3-ol
PubChem CID11009211
Molecular FormulaC12H22OSi
Molecular Weight210.39 g/mol
Exact Mass210.14
IUPAC Name(3S)-3-propan-2-yl-1-trimethylsilylhex-5-en-1-yn-3-ol
SMILESC=CC[C@@](O)(C#C[Si](C)(C)C)C(C)C
InChIInChI=1S/C12H22OSi/c1-7-8-12(13,11(2)3)9-10-14(4,5)6/h7,11,13H,1,8H2,2-6H3/t12-/m1/s1
InChIKeyDHWCFRAFGHNTKW-GFCCVEGCSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-propan-2-yl-1-trimethylsilylhex-5-en-1-yn-3-ol?
The IUPAC name of (3S)-3-propan-2-yl-1-trimethylsilylhex-5-en-1-yn-3-ol (CID 11009211) is (3S)-3-propan-2-yl-1-trimethylsilylhex-5-en-1-yn-3-ol.
What is the SMILES notation for (3S)-3-propan-2-yl-1-trimethylsilylhex-5-en-1-yn-3-ol?
The canonical SMILES for (3S)-3-propan-2-yl-1-trimethylsilylhex-5-en-1-yn-3-ol is C=CC[C@@](O)(C#C[Si](C)(C)C)C(C)C.
What is the InChIKey of (3S)-3-propan-2-yl-1-trimethylsilylhex-5-en-1-yn-3-ol?
The InChIKey is DHWCFRAFGHNTKW-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H22OSi/c1-7-8-12(13,11(2)3)9-10-14(4,5)6/h7,11,13H,1,8H2,2-6H3/t12-/m1/s1.
What are the key properties of (3S)-3-propan-2-yl-1-trimethylsilylhex-5-en-1-yn-3-ol?
(3S)-3-propan-2-yl-1-trimethylsilylhex-5-en-1-yn-3-ol has a molecular weight of 210.39 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-propan-2-yl-1-trimethylsilylhex-5-en-1-yn-3-ol is sourced from PubChem (CID 11009211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).