(4R,6S)-3,3,6,10-tetramethyl-1-trimethylsilylundec-9-en-1-yn-4-ol

C18H34OSi — CID 134967878

IUPAC(4R,6S)-3,3,6,10-tetramethyl-1-trimethylsilylundec-9-en-1-yn-4-ol
SMILESCC(C)=CCC[C@H](C)C[C@@H](O)C(C)(C)C#C[Si](C)(C)C
InChIInChI=1S/C18H34OSi/c1-15(2)10-9-11-16(3)14-17(19)18(4,5)12-13-20(6,7)8/h10,16-17,19H,9,11,14H2,1-8H3/t16-,17+/m0/s1
InChIKeyGJUGNFZWHCQHGH-DLBZAZTESA-N
MW294.56 g/mol
LogP5.03
Rot. Bonds6

About (4R,6S)-3,3,6,10-tetramethyl-1-trimethylsilylundec-9-en-1-yn-4-ol

(4R,6S)-3,3,6,10-tetramethyl-1-trimethylsilylundec-9-en-1-yn-4-ol (PubChem CID 134967878) has the molecular formula C18H34OSi and a molecular weight of 294.56 g/mol. Its IUPAC name is (4R,6S)-3,3,6,10-tetramethyl-1-trimethylsilylundec-9-en-1-yn-4-ol.

Molecular Properties

Compound Name(4R,6S)-3,3,6,10-tetramethyl-1-trimethylsilylundec-9-en-1-yn-4-ol
PubChem CID134967878
Molecular FormulaC18H34OSi
Molecular Weight294.56 g/mol
Exact Mass294.24
IUPAC Name(4R,6S)-3,3,6,10-tetramethyl-1-trimethylsilylundec-9-en-1-yn-4-ol
SMILESCC(C)=CCC[C@H](C)C[C@@H](O)C(C)(C)C#C[Si](C)(C)C
InChIInChI=1S/C18H34OSi/c1-15(2)10-9-11-16(3)14-17(19)18(4,5)12-13-20(6,7)8/h10,16-17,19H,9,11,14H2,1-8H3/t16-,17+/m0/s1
InChIKeyGJUGNFZWHCQHGH-DLBZAZTESA-N
XLogP5.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.56
LogP ≤ 55.03
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 (4R,6S)-3,3,6,10-tetramethyl-1-trimethylsilylundec-9-en-1-yn-4-ol?
The IUPAC name of (4R,6S)-3,3,6,10-tetramethyl-1-trimethylsilylundec-9-en-1-yn-4-ol (CID 134967878) is (4R,6S)-3,3,6,10-tetramethyl-1-trimethylsilylundec-9-en-1-yn-4-ol.
What is the SMILES notation for (4R,6S)-3,3,6,10-tetramethyl-1-trimethylsilylundec-9-en-1-yn-4-ol?
The canonical SMILES for (4R,6S)-3,3,6,10-tetramethyl-1-trimethylsilylundec-9-en-1-yn-4-ol is CC(C)=CCC[C@H](C)C[C@@H](O)C(C)(C)C#C[Si](C)(C)C.
What is the InChIKey of (4R,6S)-3,3,6,10-tetramethyl-1-trimethylsilylundec-9-en-1-yn-4-ol?
The InChIKey is GJUGNFZWHCQHGH-DLBZAZTESA-N. The full InChI is InChI=1S/C18H34OSi/c1-15(2)10-9-11-16(3)14-17(19)18(4,5)12-13-20(6,7)8/h10,16-17,19H,9,11,14H2,1-8H3/t16-,17+/m0/s1.
What are the key properties of (4R,6S)-3,3,6,10-tetramethyl-1-trimethylsilylundec-9-en-1-yn-4-ol?
(4R,6S)-3,3,6,10-tetramethyl-1-trimethylsilylundec-9-en-1-yn-4-ol has a molecular weight of 294.56 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-3,3,6,10-tetramethyl-1-trimethylsilylundec-9-en-1-yn-4-ol is sourced from PubChem (CID 134967878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).