(3R,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-ol

C13H28O2Si — CID 102300469

IUPAC(3R,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-ol
SMILESC=C[C@H](O)CC[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-8-12(14)10-9-11(2)15-16(6,7)13(3,4)5/h8,11-12,14H,1,9-10H2,2-7H3/t11-,12+/m1/s1
InChIKeyFIAMANTWQDHSNF-NEPJUHHUSA-N
MW244.45 g/mol
LogP3.72
Rot. Bonds6

About (3R,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-ol

(3R,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-ol (PubChem CID 102300469) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is (3R,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-ol.

Molecular Properties

Compound Name(3R,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-ol
PubChem CID102300469
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name(3R,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-ol
SMILESC=C[C@H](O)CC[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-8-12(14)10-9-11(2)15-16(6,7)13(3,4)5/h8,11-12,14H,1,9-10H2,2-7H3/t11-,12+/m1/s1
InChIKeyFIAMANTWQDHSNF-NEPJUHHUSA-N
XLogP3.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 53.72
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 (3R,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-ol?
The IUPAC name of (3R,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-ol (CID 102300469) is (3R,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-ol.
What is the SMILES notation for (3R,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-ol?
The canonical SMILES for (3R,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-ol is C=C[C@H](O)CC[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-ol?
The InChIKey is FIAMANTWQDHSNF-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-8-12(14)10-9-11(2)15-16(6,7)13(3,4)5/h8,11-12,14H,1,9-10H2,2-7H3/t11-,12+/m1/s1.
What are the key properties of (3R,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-ol?
(3R,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-ol has a molecular weight of 244.45 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-ol is sourced from PubChem (CID 102300469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).