(E,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-4-methylhept-5-en-1-ol

C14H29IO2Si — CID 58139584

IUPAC(E,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-4-methylhept-5-en-1-ol
SMILESC/C(I)=C\[C@H](C)[C@H](CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H29IO2Si/c1-11(10-12(2)15)13(8-9-16)17-18(6,7)14(3,4)5/h10-11,13,16H,8-9H2,1-7H3/b12-10+/t11-,13-/m0/s1
InChIKeyZZJRUHYLPZTIJS-IPLAKBNRSA-N
MW384.37 g/mol
LogP4.73
Rot. Bonds6

About (E,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-4-methylhept-5-en-1-ol

(E,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-4-methylhept-5-en-1-ol (PubChem CID 58139584) has the molecular formula C14H29IO2Si and a molecular weight of 384.37 g/mol. Its IUPAC name is (E,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-4-methylhept-5-en-1-ol.

Molecular Properties

Compound Name(E,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-4-methylhept-5-en-1-ol
PubChem CID58139584
Molecular FormulaC14H29IO2Si
Molecular Weight384.37 g/mol
Exact Mass384.10
IUPAC Name(E,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-4-methylhept-5-en-1-ol
SMILESC/C(I)=C\[C@H](C)[C@H](CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H29IO2Si/c1-11(10-12(2)15)13(8-9-16)17-18(6,7)14(3,4)5/h10-11,13,16H,8-9H2,1-7H3/b12-10+/t11-,13-/m0/s1
InChIKeyZZJRUHYLPZTIJS-IPLAKBNRSA-N
XLogP4.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-4-methylhept-5-en-1-ol?
The IUPAC name of (E,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-4-methylhept-5-en-1-ol (CID 58139584) is (E,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-4-methylhept-5-en-1-ol.
What is the SMILES notation for (E,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-4-methylhept-5-en-1-ol?
The canonical SMILES for (E,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-4-methylhept-5-en-1-ol is C/C(I)=C\[C@H](C)[C@H](CCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-4-methylhept-5-en-1-ol?
The InChIKey is ZZJRUHYLPZTIJS-IPLAKBNRSA-N. The full InChI is InChI=1S/C14H29IO2Si/c1-11(10-12(2)15)13(8-9-16)17-18(6,7)14(3,4)5/h10-11,13,16H,8-9H2,1-7H3/b12-10+/t11-,13-/m0/s1.
What are the key properties of (E,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-4-methylhept-5-en-1-ol?
(E,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-4-methylhept-5-en-1-ol has a molecular weight of 384.37 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-4-methylhept-5-en-1-ol is sourced from PubChem (CID 58139584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).