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

C18H36OSi — CID 11449349

IUPAC(3S)-1-trimethylsilylpentadec-1-yn-3-ol
SMILESCCCCCCCCCCCC[C@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C18H36OSi/c1-5-6-7-8-9-10-11-12-13-14-15-18(19)16-17-20(2,3)4/h18-19H,5-15H2,1-4H3/t18-/m0/s1
InChIKeyDBDWZPXZZYGCDK-SFHVURJKSA-N
MW296.57 g/mol
LogP5.54
Rot. Bonds11

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

(3S)-1-trimethylsilylpentadec-1-yn-3-ol (PubChem CID 11449349) has the molecular formula C18H36OSi and a molecular weight of 296.57 g/mol. Its IUPAC name is (3S)-1-trimethylsilylpentadec-1-yn-3-ol.

Molecular Properties

Compound Name(3S)-1-trimethylsilylpentadec-1-yn-3-ol
PubChem CID11449349
Molecular FormulaC18H36OSi
Molecular Weight296.57 g/mol
Exact Mass296.25
IUPAC Name(3S)-1-trimethylsilylpentadec-1-yn-3-ol
SMILESCCCCCCCCCCCC[C@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C18H36OSi/c1-5-6-7-8-9-10-11-12-13-14-15-18(19)16-17-20(2,3)4/h18-19H,5-15H2,1-4H3/t18-/m0/s1
InChIKeyDBDWZPXZZYGCDK-SFHVURJKSA-N
XLogP5.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.57
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-trimethylsilylhept-1-yn-3-ol
CID 12623486
(3S)-1-trimethylsilyldocosa-1,13-diyn-3-ol
CID 102332029
(E,3R)-1-trimethylsilyldocos-13-en-1-yn-3-ol
CID 102332031
6-hydroxy-8-trimethylsilyloct-7-ynoic acid
CID 174052538
1-trimethylsilylnona-1,7-diyn-3-ol
CID 121009157
(4R)-1-trimethylsilyltridec-1-yn-4-ol
CID 139667273
(3S)-1-trimethylsilyloct-7-en-1-yn-3-ol
CID 102063168
tetracos-13-yn-12-ol
CID 169488986
heptacos-10-yn-9-ol
CID 11058298
tetradecane-1,1-diol;tridecane-1,1-diol
CID 87487679
nonacosane-1,1-diol
CID 23066924

Frequently Asked Questions

What is the IUPAC name of (3S)-1-trimethylsilylpentadec-1-yn-3-ol?
The IUPAC name of (3S)-1-trimethylsilylpentadec-1-yn-3-ol (CID 11449349) is (3S)-1-trimethylsilylpentadec-1-yn-3-ol.
What is the SMILES notation for (3S)-1-trimethylsilylpentadec-1-yn-3-ol?
The canonical SMILES for (3S)-1-trimethylsilylpentadec-1-yn-3-ol is CCCCCCCCCCCC[C@H](O)C#C[Si](C)(C)C.
What is the InChIKey of (3S)-1-trimethylsilylpentadec-1-yn-3-ol?
The InChIKey is DBDWZPXZZYGCDK-SFHVURJKSA-N. The full InChI is InChI=1S/C18H36OSi/c1-5-6-7-8-9-10-11-12-13-14-15-18(19)16-17-20(2,3)4/h18-19H,5-15H2,1-4H3/t18-/m0/s1.
What are the key properties of (3S)-1-trimethylsilylpentadec-1-yn-3-ol?
(3S)-1-trimethylsilylpentadec-1-yn-3-ol has a molecular weight of 296.57 g/mol, XLogP of 5.54, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-trimethylsilylpentadec-1-yn-3-ol is sourced from PubChem (CID 11449349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).