(3R,4S)-3-[tert-butyl(dimethyl)silyl]oct-1-en-4-ol

C14H30OSi — CID 134978768

IUPAC(3R,4S)-3-[tert-butyl(dimethyl)silyl]oct-1-en-4-ol
SMILESC=C[C@H]([C@@H](O)CCCC)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30OSi/c1-8-10-11-12(15)13(9-2)16(6,7)14(3,4)5/h9,12-13,15H,2,8,10-11H2,1,3-7H3/t12-,13+/m0/s1
InChIKeyOQIQUHAHCAFAMC-QWHCGFSZSA-N
MW242.48 g/mol
LogP4.60
Rot. Bonds6

About (3R,4S)-3-[tert-butyl(dimethyl)silyl]oct-1-en-4-ol

(3R,4S)-3-[tert-butyl(dimethyl)silyl]oct-1-en-4-ol (PubChem CID 134978768) has the molecular formula C14H30OSi and a molecular weight of 242.48 g/mol. Its IUPAC name is (3R,4S)-3-[tert-butyl(dimethyl)silyl]oct-1-en-4-ol.

Molecular Properties

Compound Name(3R,4S)-3-[tert-butyl(dimethyl)silyl]oct-1-en-4-ol
PubChem CID134978768
Molecular FormulaC14H30OSi
Molecular Weight242.48 g/mol
Exact Mass242.21
IUPAC Name(3R,4S)-3-[tert-butyl(dimethyl)silyl]oct-1-en-4-ol
SMILESC=C[C@H]([C@@H](O)CCCC)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30OSi/c1-8-10-11-12(15)13(9-2)16(6,7)14(3,4)5/h9,12-13,15H,2,8,10-11H2,1,3-7H3/t12-,13+/m0/s1
InChIKeyOQIQUHAHCAFAMC-QWHCGFSZSA-N
XLogP4.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.48
LogP ≤ 54.60
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'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-[tert-butyl(dimethyl)silyl]oct-1-en-4-ol?
The IUPAC name of (3R,4S)-3-[tert-butyl(dimethyl)silyl]oct-1-en-4-ol (CID 134978768) is (3R,4S)-3-[tert-butyl(dimethyl)silyl]oct-1-en-4-ol.
What is the SMILES notation for (3R,4S)-3-[tert-butyl(dimethyl)silyl]oct-1-en-4-ol?
The canonical SMILES for (3R,4S)-3-[tert-butyl(dimethyl)silyl]oct-1-en-4-ol is C=C[C@H]([C@@H](O)CCCC)[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,4S)-3-[tert-butyl(dimethyl)silyl]oct-1-en-4-ol?
The InChIKey is OQIQUHAHCAFAMC-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H30OSi/c1-8-10-11-12(15)13(9-2)16(6,7)14(3,4)5/h9,12-13,15H,2,8,10-11H2,1,3-7H3/t12-,13+/m0/s1.
What are the key properties of (3R,4S)-3-[tert-butyl(dimethyl)silyl]oct-1-en-4-ol?
(3R,4S)-3-[tert-butyl(dimethyl)silyl]oct-1-en-4-ol has a molecular weight of 242.48 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-[tert-butyl(dimethyl)silyl]oct-1-en-4-ol is sourced from PubChem (CID 134978768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).