(4R)-1-trimethylsilyltridec-1-yn-4-ol

C16H32OSi — CID 139667273

IUPAC(4R)-1-trimethylsilyltridec-1-yn-4-ol
SMILESCCCCCCCCC[C@@H](O)CC#C[Si](C)(C)C
InChIInChI=1S/C16H32OSi/c1-5-6-7-8-9-10-11-13-16(17)14-12-15-18(2,3)4/h16-17H,5-11,13-14H2,1-4H3/t16-/m1/s1
InChIKeyRXLLFMSUNKDNLS-MRXNPFEDSA-N
MW268.52 g/mol
LogP4.76
Rot. Bonds9

About (4R)-1-trimethylsilyltridec-1-yn-4-ol

(4R)-1-trimethylsilyltridec-1-yn-4-ol (PubChem CID 139667273) has the molecular formula C16H32OSi and a molecular weight of 268.52 g/mol. Its IUPAC name is (4R)-1-trimethylsilyltridec-1-yn-4-ol.

Molecular Properties

Compound Name(4R)-1-trimethylsilyltridec-1-yn-4-ol
PubChem CID139667273
Molecular FormulaC16H32OSi
Molecular Weight268.52 g/mol
Exact Mass268.22
IUPAC Name(4R)-1-trimethylsilyltridec-1-yn-4-ol
SMILESCCCCCCCCC[C@@H](O)CC#C[Si](C)(C)C
InChIInChI=1S/C16H32OSi/c1-5-6-7-8-9-10-11-13-16(17)14-12-15-18(2,3)4/h16-17H,5-11,13-14H2,1-4H3/t16-/m1/s1
InChIKeyRXLLFMSUNKDNLS-MRXNPFEDSA-N
XLogP4.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.52
LogP ≤ 54.76
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

undec-2-yne-1,5-diol
CID 14791778
(3R)-1-trimethylsilylpentadec-1-yn-3-ol
CID 10946406
(3S)-1-trimethylsilylpentadec-1-yn-3-ol
CID 11449349
1-[hydroxy(diphenyl)silyl]dec-1-yn-4-ol
CID 10981067
(3R)-3-hydroxynonanenitrile
CID 11298091
tetracosan-6-ol
CID 154265400
(7R)-hexatriacontan-7-ol
CID 88529159
tetratetracontan-22-ol
CID 91434437
icosan-9-ol
CID 11983377
nonacosane-7,20-diol
CID 174949468
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851

Frequently Asked Questions

What is the IUPAC name of (4R)-1-trimethylsilyltridec-1-yn-4-ol?
The IUPAC name of (4R)-1-trimethylsilyltridec-1-yn-4-ol (CID 139667273) is (4R)-1-trimethylsilyltridec-1-yn-4-ol.
What is the SMILES notation for (4R)-1-trimethylsilyltridec-1-yn-4-ol?
The canonical SMILES for (4R)-1-trimethylsilyltridec-1-yn-4-ol is CCCCCCCCC[C@@H](O)CC#C[Si](C)(C)C.
What is the InChIKey of (4R)-1-trimethylsilyltridec-1-yn-4-ol?
The InChIKey is RXLLFMSUNKDNLS-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H32OSi/c1-5-6-7-8-9-10-11-13-16(17)14-12-15-18(2,3)4/h16-17H,5-11,13-14H2,1-4H3/t16-/m1/s1.
What are the key properties of (4R)-1-trimethylsilyltridec-1-yn-4-ol?
(4R)-1-trimethylsilyltridec-1-yn-4-ol has a molecular weight of 268.52 g/mol, XLogP of 4.76, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-trimethylsilyltridec-1-yn-4-ol is sourced from PubChem (CID 139667273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).