(3S)-1-trimethylsilylhept-1-yn-3-ol

C10H20OSi — CID 12623486

IUPAC(3S)-1-trimethylsilylhept-1-yn-3-ol
SMILESCCCC[C@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C10H20OSi/c1-5-6-7-10(11)8-9-12(2,3)4/h10-11H,5-7H2,1-4H3/t10-/m0/s1
InChIKeyCXLMKZVNVIEYTQ-JTQLQIEISA-N
MW184.35 g/mol
LogP2.42
Rot. Bonds3

About (3S)-1-trimethylsilylhept-1-yn-3-ol

(3S)-1-trimethylsilylhept-1-yn-3-ol (PubChem CID 12623486) has the molecular formula C10H20OSi and a molecular weight of 184.35 g/mol. Its IUPAC name is (3S)-1-trimethylsilylhept-1-yn-3-ol.

Molecular Properties

Compound Name(3S)-1-trimethylsilylhept-1-yn-3-ol
PubChem CID12623486
Molecular FormulaC10H20OSi
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name(3S)-1-trimethylsilylhept-1-yn-3-ol
SMILESCCCC[C@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C10H20OSi/c1-5-6-7-10(11)8-9-12(2,3)4/h10-11H,5-7H2,1-4H3/t10-/m0/s1
InChIKeyCXLMKZVNVIEYTQ-JTQLQIEISA-N
XLogP2.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 52.42
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

(3R)-1-trimethylsilylpentadec-1-yn-3-ol
CID 10946406
(3S)-1-trimethylsilylpentadec-1-yn-3-ol
CID 11449349
(3S)-1-trimethylsilyldocosa-1,13-diyn-3-ol
CID 102332029
(E,3R)-1-trimethylsilyldocos-13-en-1-yn-3-ol
CID 102332031
(3S)-1-trimethylsilyloct-7-en-1-yn-3-ol
CID 102063168
1-trimethylsilylnona-1,7-diyn-3-ol
CID 121009157
(3R,4R)-3-ethyl-1-trimethylsilyloct-1-yn-4-ol
CID 15399341
6-hydroxy-8-trimethylsilyloct-7-ynoic acid
CID 174052538
(3R)-1-trimethylsilylhepta-1,6-diyn-3-ol
CID 124706922
hept-1-yne-1,3-diol
CID 18401946
(Z)-1,5-bis(trimethylsilyl)dec-5-en-1-yn-3-ol
CID 134931746
(3R)-1-[benzhydryl(dimethyl)silyl]hept-1-yn-3-ol
CID 102018356

Frequently Asked Questions

What is the IUPAC name of (3S)-1-trimethylsilylhept-1-yn-3-ol?
The IUPAC name of (3S)-1-trimethylsilylhept-1-yn-3-ol (CID 12623486) is (3S)-1-trimethylsilylhept-1-yn-3-ol.
What is the SMILES notation for (3S)-1-trimethylsilylhept-1-yn-3-ol?
The canonical SMILES for (3S)-1-trimethylsilylhept-1-yn-3-ol is CCCC[C@H](O)C#C[Si](C)(C)C.
What is the InChIKey of (3S)-1-trimethylsilylhept-1-yn-3-ol?
The InChIKey is CXLMKZVNVIEYTQ-JTQLQIEISA-N. The full InChI is InChI=1S/C10H20OSi/c1-5-6-7-10(11)8-9-12(2,3)4/h10-11H,5-7H2,1-4H3/t10-/m0/s1.
What are the key properties of (3S)-1-trimethylsilylhept-1-yn-3-ol?
(3S)-1-trimethylsilylhept-1-yn-3-ol has a molecular weight of 184.35 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-trimethylsilylhept-1-yn-3-ol is sourced from PubChem (CID 12623486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).