(3S,4S)-8-[tert-butyl(dimethyl)silyl]oxy-3-methyloct-1-en-4-ol

C15H32O2Si — CID 24756072

IUPAC(3S,4S)-8-[tert-butyl(dimethyl)silyl]oxy-3-methyloct-1-en-4-ol
SMILESC=C[C@H](C)[C@@H](O)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O2Si/c1-8-13(2)14(16)11-9-10-12-17-18(6,7)15(3,4)5/h8,13-14,16H,1,9-12H2,2-7H3/t13-,14-/m0/s1
InChIKeyKOGKLHYGLBMWIB-KBPBESRZSA-N
MW272.50 g/mol
LogP4.36
Rot. Bonds8

About (3S,4S)-8-[tert-butyl(dimethyl)silyl]oxy-3-methyloct-1-en-4-ol

(3S,4S)-8-[tert-butyl(dimethyl)silyl]oxy-3-methyloct-1-en-4-ol (PubChem CID 24756072) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is (3S,4S)-8-[tert-butyl(dimethyl)silyl]oxy-3-methyloct-1-en-4-ol.

Molecular Properties

Compound Name(3S,4S)-8-[tert-butyl(dimethyl)silyl]oxy-3-methyloct-1-en-4-ol
PubChem CID24756072
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Name(3S,4S)-8-[tert-butyl(dimethyl)silyl]oxy-3-methyloct-1-en-4-ol
SMILESC=C[C@H](C)[C@@H](O)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O2Si/c1-8-13(2)14(16)11-9-10-12-17-18(6,7)15(3,4)5/h8,13-14,16H,1,9-12H2,2-7H3/t13-,14-/m0/s1
InChIKeyKOGKLHYGLBMWIB-KBPBESRZSA-N
XLogP4.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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,4S)-8-[tert-butyl(dimethyl)silyl]oxy-3-methyloct-1-en-4-ol?
The IUPAC name of (3S,4S)-8-[tert-butyl(dimethyl)silyl]oxy-3-methyloct-1-en-4-ol (CID 24756072) is (3S,4S)-8-[tert-butyl(dimethyl)silyl]oxy-3-methyloct-1-en-4-ol.
What is the SMILES notation for (3S,4S)-8-[tert-butyl(dimethyl)silyl]oxy-3-methyloct-1-en-4-ol?
The canonical SMILES for (3S,4S)-8-[tert-butyl(dimethyl)silyl]oxy-3-methyloct-1-en-4-ol is C=C[C@H](C)[C@@H](O)CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4S)-8-[tert-butyl(dimethyl)silyl]oxy-3-methyloct-1-en-4-ol?
The InChIKey is KOGKLHYGLBMWIB-KBPBESRZSA-N. The full InChI is InChI=1S/C15H32O2Si/c1-8-13(2)14(16)11-9-10-12-17-18(6,7)15(3,4)5/h8,13-14,16H,1,9-12H2,2-7H3/t13-,14-/m0/s1.
What are the key properties of (3S,4S)-8-[tert-butyl(dimethyl)silyl]oxy-3-methyloct-1-en-4-ol?
(3S,4S)-8-[tert-butyl(dimethyl)silyl]oxy-3-methyloct-1-en-4-ol has a molecular weight of 272.50 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-8-[tert-butyl(dimethyl)silyl]oxy-3-methyloct-1-en-4-ol is sourced from PubChem (CID 24756072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).