(2S,3S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylhex-5-en-3-ol

C18H36O2Si — CID 102316178

IUPAC(2S,3S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylhex-5-en-3-ol
SMILESC=C[C@H](C1CCCCC1)[C@H](O)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O2Si/c1-8-16(15-12-10-9-11-13-15)17(19)14(2)20-21(6,7)18(3,4)5/h8,14-17,19H,1,9-13H2,2-7H3/t14-,16+,17+/m0/s1
InChIKeyFSYMKIMVZORFHG-USXIJHARSA-N
MW312.57 g/mol
LogP5.14
Rot. Bonds6

About (2S,3S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylhex-5-en-3-ol

(2S,3S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylhex-5-en-3-ol (PubChem CID 102316178) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is (2S,3S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylhex-5-en-3-ol.

Molecular Properties

Compound Name(2S,3S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylhex-5-en-3-ol
PubChem CID102316178
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Name(2S,3S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylhex-5-en-3-ol
SMILESC=C[C@H](C1CCCCC1)[C@H](O)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O2Si/c1-8-16(15-12-10-9-11-13-15)17(19)14(2)20-21(6,7)18(3,4)5/h8,14-17,19H,1,9-13H2,2-7H3/t14-,16+,17+/m0/s1
InChIKeyFSYMKIMVZORFHG-USXIJHARSA-N
XLogP5.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (2S,3S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylhex-5-en-3-ol?
The IUPAC name of (2S,3S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylhex-5-en-3-ol (CID 102316178) is (2S,3S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylhex-5-en-3-ol.
What is the SMILES notation for (2S,3S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylhex-5-en-3-ol?
The canonical SMILES for (2S,3S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylhex-5-en-3-ol is C=C[C@H](C1CCCCC1)[C@H](O)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylhex-5-en-3-ol?
The InChIKey is FSYMKIMVZORFHG-USXIJHARSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-8-16(15-12-10-9-11-13-15)17(19)14(2)20-21(6,7)18(3,4)5/h8,14-17,19H,1,9-13H2,2-7H3/t14-,16+,17+/m0/s1.
What are the key properties of (2S,3S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylhex-5-en-3-ol?
(2S,3S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylhex-5-en-3-ol has a molecular weight of 312.57 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylhex-5-en-3-ol is sourced from PubChem (CID 102316178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).