(E,3S,4R)-3-methyl-1-trimethylsilyldec-5-en-1-yn-4-ol

C14H26OSi — CID 101162768

IUPAC(E,3S,4R)-3-methyl-1-trimethylsilyldec-5-en-1-yn-4-ol
SMILESCCCC/C=C/[C@@H](O)[C@@H](C)C#C[Si](C)(C)C
InChIInChI=1S/C14H26OSi/c1-6-7-8-9-10-14(15)13(2)11-12-16(3,4)5/h9-10,13-15H,6-8H2,1-5H3/b10-9+/t13-,14+/m0/s1
InChIKeyDEBACEILBJWMTN-XACNLCELSA-N
MW238.45 g/mol
LogP3.61
Rot. Bonds5

About (E,3S,4R)-3-methyl-1-trimethylsilyldec-5-en-1-yn-4-ol

(E,3S,4R)-3-methyl-1-trimethylsilyldec-5-en-1-yn-4-ol (PubChem CID 101162768) has the molecular formula C14H26OSi and a molecular weight of 238.45 g/mol. Its IUPAC name is (E,3S,4R)-3-methyl-1-trimethylsilyldec-5-en-1-yn-4-ol.

Molecular Properties

Compound Name(E,3S,4R)-3-methyl-1-trimethylsilyldec-5-en-1-yn-4-ol
PubChem CID101162768
Molecular FormulaC14H26OSi
Molecular Weight238.45 g/mol
Exact Mass238.18
IUPAC Name(E,3S,4R)-3-methyl-1-trimethylsilyldec-5-en-1-yn-4-ol
SMILESCCCC/C=C/[C@@H](O)[C@@H](C)C#C[Si](C)(C)C
InChIInChI=1S/C14H26OSi/c1-6-7-8-9-10-14(15)13(2)11-12-16(3,4)5/h9-10,13-15H,6-8H2,1-5H3/b10-9+/t13-,14+/m0/s1
InChIKeyDEBACEILBJWMTN-XACNLCELSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.45
LogP ≤ 53.61
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': '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 (E,3S,4R)-3-methyl-1-trimethylsilyldec-5-en-1-yn-4-ol?
The IUPAC name of (E,3S,4R)-3-methyl-1-trimethylsilyldec-5-en-1-yn-4-ol (CID 101162768) is (E,3S,4R)-3-methyl-1-trimethylsilyldec-5-en-1-yn-4-ol.
What is the SMILES notation for (E,3S,4R)-3-methyl-1-trimethylsilyldec-5-en-1-yn-4-ol?
The canonical SMILES for (E,3S,4R)-3-methyl-1-trimethylsilyldec-5-en-1-yn-4-ol is CCCC/C=C/[C@@H](O)[C@@H](C)C#C[Si](C)(C)C.
What is the InChIKey of (E,3S,4R)-3-methyl-1-trimethylsilyldec-5-en-1-yn-4-ol?
The InChIKey is DEBACEILBJWMTN-XACNLCELSA-N. The full InChI is InChI=1S/C14H26OSi/c1-6-7-8-9-10-14(15)13(2)11-12-16(3,4)5/h9-10,13-15H,6-8H2,1-5H3/b10-9+/t13-,14+/m0/s1.
What are the key properties of (E,3S,4R)-3-methyl-1-trimethylsilyldec-5-en-1-yn-4-ol?
(E,3S,4R)-3-methyl-1-trimethylsilyldec-5-en-1-yn-4-ol has a molecular weight of 238.45 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S,4R)-3-methyl-1-trimethylsilyldec-5-en-1-yn-4-ol is sourced from PubChem (CID 101162768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).