(4S)-3,3-dimethyl-1-trimethylsilyloct-1-yn-4-ol

C13H26OSi — CID 129405345

IUPAC(4S)-3,3-dimethyl-1-trimethylsilyloct-1-yn-4-ol
SMILESCCCC[C@H](O)C(C)(C)C#C[Si](C)(C)C
InChIInChI=1S/C13H26OSi/c1-7-8-9-12(14)13(2,3)10-11-15(4,5)6/h12,14H,7-9H2,1-6H3/t12-/m0/s1
InChIKeyCIEHIYUERPSZSR-LBPRGKRZSA-N
MW226.44 g/mol
LogP3.44
Rot. Bonds4

About (4S)-3,3-dimethyl-1-trimethylsilyloct-1-yn-4-ol

(4S)-3,3-dimethyl-1-trimethylsilyloct-1-yn-4-ol (PubChem CID 129405345) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is (4S)-3,3-dimethyl-1-trimethylsilyloct-1-yn-4-ol.

Molecular Properties

Compound Name(4S)-3,3-dimethyl-1-trimethylsilyloct-1-yn-4-ol
PubChem CID129405345
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Name(4S)-3,3-dimethyl-1-trimethylsilyloct-1-yn-4-ol
SMILESCCCC[C@H](O)C(C)(C)C#C[Si](C)(C)C
InChIInChI=1S/C13H26OSi/c1-7-8-9-12(14)13(2,3)10-11-15(4,5)6/h12,14H,7-9H2,1-6H3/t12-/m0/s1
InChIKeyCIEHIYUERPSZSR-LBPRGKRZSA-N
XLogP3.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-trimethylsilylhept-1-yn-3-ol
CID 12623486
3-hydroxy-2,2-dimethylnonanenitrile
CID 15156105
2,2-dimethylheptane-1,3-diol
CID 57266054
(3R,4R)-3-ethyl-1-trimethylsilyloct-1-yn-4-ol
CID 15399341
2-methyl-2-methylsulfonylheptan-3-ol
CID 115783263
(3R)-1-trimethylsilylpentadec-1-yn-3-ol
CID 10946406
(3S)-1-trimethylsilylpentadec-1-yn-3-ol
CID 11449349
(3R)-3-methyl-1-trimethylsilylpent-1-yn-3-ol
CID 12630624
3-ethyl-3-methyloctane-2,4-diol
CID 57198922
CID 172720711
CID 172720711
(4R)-1-trimethylsilyltridec-1-yn-4-ol
CID 139667273
3-hydroxy-2,2-dimethylheptanamide
CID 91302287

Frequently Asked Questions

What is the IUPAC name of (4S)-3,3-dimethyl-1-trimethylsilyloct-1-yn-4-ol?
The IUPAC name of (4S)-3,3-dimethyl-1-trimethylsilyloct-1-yn-4-ol (CID 129405345) is (4S)-3,3-dimethyl-1-trimethylsilyloct-1-yn-4-ol.
What is the SMILES notation for (4S)-3,3-dimethyl-1-trimethylsilyloct-1-yn-4-ol?
The canonical SMILES for (4S)-3,3-dimethyl-1-trimethylsilyloct-1-yn-4-ol is CCCC[C@H](O)C(C)(C)C#C[Si](C)(C)C.
What is the InChIKey of (4S)-3,3-dimethyl-1-trimethylsilyloct-1-yn-4-ol?
The InChIKey is CIEHIYUERPSZSR-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H26OSi/c1-7-8-9-12(14)13(2,3)10-11-15(4,5)6/h12,14H,7-9H2,1-6H3/t12-/m0/s1.
What are the key properties of (4S)-3,3-dimethyl-1-trimethylsilyloct-1-yn-4-ol?
(4S)-3,3-dimethyl-1-trimethylsilyloct-1-yn-4-ol has a molecular weight of 226.44 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,3-dimethyl-1-trimethylsilyloct-1-yn-4-ol is sourced from PubChem (CID 129405345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).