(3S,4R)-3-trimethylsilyltridec-1-en-4-ol

C16H34OSi — CID 134993132

IUPAC(3S,4R)-3-trimethylsilyltridec-1-en-4-ol
SMILESC=C[C@@H]([C@H](O)CCCCCCCCC)[Si](C)(C)C
InChIInChI=1S/C16H34OSi/c1-6-8-9-10-11-12-13-14-15(17)16(7-2)18(3,4)5/h7,15-17H,2,6,8-14H2,1,3-5H3/t15-,16+/m1/s1
InChIKeyBMQXENFGPQKFCN-CVEARBPZSA-N
MW270.53 g/mol
LogP5.38
Rot. Bonds11

About (3S,4R)-3-trimethylsilyltridec-1-en-4-ol

(3S,4R)-3-trimethylsilyltridec-1-en-4-ol (PubChem CID 134993132) has the molecular formula C16H34OSi and a molecular weight of 270.53 g/mol. Its IUPAC name is (3S,4R)-3-trimethylsilyltridec-1-en-4-ol.

Molecular Properties

Compound Name(3S,4R)-3-trimethylsilyltridec-1-en-4-ol
PubChem CID134993132
Molecular FormulaC16H34OSi
Molecular Weight270.53 g/mol
Exact Mass270.24
IUPAC Name(3S,4R)-3-trimethylsilyltridec-1-en-4-ol
SMILESC=C[C@@H]([C@H](O)CCCCCCCCC)[Si](C)(C)C
InChIInChI=1S/C16H34OSi/c1-6-8-9-10-11-12-13-14-15(17)16(7-2)18(3,4)5/h7,15-17H,2,6,8-14H2,1,3-5H3/t15-,16+/m1/s1
InChIKeyBMQXENFGPQKFCN-CVEARBPZSA-N
XLogP5.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.53
LogP ≤ 55.38
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'}

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-trimethylsilyltridec-1-en-4-ol?
The IUPAC name of (3S,4R)-3-trimethylsilyltridec-1-en-4-ol (CID 134993132) is (3S,4R)-3-trimethylsilyltridec-1-en-4-ol.
What is the SMILES notation for (3S,4R)-3-trimethylsilyltridec-1-en-4-ol?
The canonical SMILES for (3S,4R)-3-trimethylsilyltridec-1-en-4-ol is C=C[C@@H]([C@H](O)CCCCCCCCC)[Si](C)(C)C.
What is the InChIKey of (3S,4R)-3-trimethylsilyltridec-1-en-4-ol?
The InChIKey is BMQXENFGPQKFCN-CVEARBPZSA-N. The full InChI is InChI=1S/C16H34OSi/c1-6-8-9-10-11-12-13-14-15(17)16(7-2)18(3,4)5/h7,15-17H,2,6,8-14H2,1,3-5H3/t15-,16+/m1/s1.
What are the key properties of (3S,4R)-3-trimethylsilyltridec-1-en-4-ol?
(3S,4R)-3-trimethylsilyltridec-1-en-4-ol has a molecular weight of 270.53 g/mol, XLogP of 5.38, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-trimethylsilyltridec-1-en-4-ol is sourced from PubChem (CID 134993132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).