(4S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methylnonan-1-ol

C18H40O2Si — CID 134846478

IUPAC(4S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methylnonan-1-ol
SMILESCCC(CCCO)CCC[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O2Si/c1-8-17(13-10-14-19)12-9-11-16(2)15-20-21(6,7)18(3,4)5/h16-17,19H,8-15H2,1-7H3/t16-,17?/m1/s1
InChIKeyYRLCOABPTUDFDS-TZHYSIJRSA-N
MW316.60 g/mol
LogP5.61
Rot. Bonds11

About (4S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methylnonan-1-ol

(4S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methylnonan-1-ol (PubChem CID 134846478) has the molecular formula C18H40O2Si and a molecular weight of 316.60 g/mol. Its IUPAC name is (4S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methylnonan-1-ol.

Molecular Properties

Compound Name(4S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methylnonan-1-ol
PubChem CID134846478
Molecular FormulaC18H40O2Si
Molecular Weight316.60 g/mol
Exact Mass316.28
IUPAC Name(4S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methylnonan-1-ol
SMILESCCC(CCCO)CCC[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O2Si/c1-8-17(13-10-14-19)12-9-11-16(2)15-20-21(6,7)18(3,4)5/h16-17,19H,8-15H2,1-7H3/t16-,17?/m1/s1
InChIKeyYRLCOABPTUDFDS-TZHYSIJRSA-N
XLogP5.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.60
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methylnonan-1-ol?
The IUPAC name of (4S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methylnonan-1-ol (CID 134846478) is (4S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methylnonan-1-ol.
What is the SMILES notation for (4S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methylnonan-1-ol?
The canonical SMILES for (4S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methylnonan-1-ol is CCC(CCCO)CCC[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methylnonan-1-ol?
The InChIKey is YRLCOABPTUDFDS-TZHYSIJRSA-N. The full InChI is InChI=1S/C18H40O2Si/c1-8-17(13-10-14-19)12-9-11-16(2)15-20-21(6,7)18(3,4)5/h16-17,19H,8-15H2,1-7H3/t16-,17?/m1/s1.
What are the key properties of (4S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methylnonan-1-ol?
(4S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methylnonan-1-ol has a molecular weight of 316.60 g/mol, XLogP of 5.61, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methylnonan-1-ol is sourced from PubChem (CID 134846478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).