(2S,3S,5R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylheptane-3,5-diol

C14H32O3Si — CID 134931680

IUPAC(2S,3S,5R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylheptane-3,5-diol
SMILESCC[C@@H](O)C[C@H](O)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H32O3Si/c1-8-12(15)9-13(16)11(2)10-17-18(6,7)14(3,4)5/h11-13,15-16H,8-10H2,1-7H3/t11-,12+,13-/m0/s1
InChIKeyGHKGIFDLSPNXCS-XQQFMLRXSA-N
MW276.49 g/mol
LogP3.17
Rot. Bonds7

About (2S,3S,5R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylheptane-3,5-diol

(2S,3S,5R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylheptane-3,5-diol (PubChem CID 134931680) has the molecular formula C14H32O3Si and a molecular weight of 276.49 g/mol. Its IUPAC name is (2S,3S,5R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylheptane-3,5-diol.

Molecular Properties

Compound Name(2S,3S,5R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylheptane-3,5-diol
PubChem CID134931680
Molecular FormulaC14H32O3Si
Molecular Weight276.49 g/mol
Exact Mass276.21
IUPAC Name(2S,3S,5R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylheptane-3,5-diol
SMILESCC[C@@H](O)C[C@H](O)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H32O3Si/c1-8-12(15)9-13(16)11(2)10-17-18(6,7)14(3,4)5/h11-13,15-16H,8-10H2,1-7H3/t11-,12+,13-/m0/s1
InChIKeyGHKGIFDLSPNXCS-XQQFMLRXSA-N
XLogP3.17
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.49
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (2S,3S,5R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylheptane-3,5-diol?
The IUPAC name of (2S,3S,5R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylheptane-3,5-diol (CID 134931680) is (2S,3S,5R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylheptane-3,5-diol.
What is the SMILES notation for (2S,3S,5R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylheptane-3,5-diol?
The canonical SMILES for (2S,3S,5R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylheptane-3,5-diol is CC[C@@H](O)C[C@H](O)[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3S,5R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylheptane-3,5-diol?
The InChIKey is GHKGIFDLSPNXCS-XQQFMLRXSA-N. The full InChI is InChI=1S/C14H32O3Si/c1-8-12(15)9-13(16)11(2)10-17-18(6,7)14(3,4)5/h11-13,15-16H,8-10H2,1-7H3/t11-,12+,13-/m0/s1.
What are the key properties of (2S,3S,5R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylheptane-3,5-diol?
(2S,3S,5R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylheptane-3,5-diol has a molecular weight of 276.49 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylheptane-3,5-diol is sourced from PubChem (CID 134931680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).