(3R,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-1-en-4-ol

C14H30O2Si — CID 53329007

IUPAC(3R,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-1-en-4-ol
SMILESC=C[C@@H](C)[C@H](O)C[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-9-11(2)13(15)10-12(3)16-17(7,8)14(4,5)6/h9,11-13,15H,1,10H2,2-8H3/t11-,12-,13-/m1/s1
InChIKeyFLHMXIJWUBADFI-JHJVBQTASA-N
MW258.48 g/mol
LogP3.97
Rot. Bonds6

About (3R,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-1-en-4-ol

(3R,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-1-en-4-ol (PubChem CID 53329007) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is (3R,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-1-en-4-ol.

Molecular Properties

Compound Name(3R,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-1-en-4-ol
PubChem CID53329007
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Name(3R,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-1-en-4-ol
SMILESC=C[C@@H](C)[C@H](O)C[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-9-11(2)13(15)10-12(3)16-17(7,8)14(4,5)6/h9,11-13,15H,1,10H2,2-8H3/t11-,12-,13-/m1/s1
InChIKeyFLHMXIJWUBADFI-JHJVBQTASA-N
XLogP3.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 53.97
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,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-1-en-4-ol?
The IUPAC name of (3R,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-1-en-4-ol (CID 53329007) is (3R,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-1-en-4-ol.
What is the SMILES notation for (3R,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-1-en-4-ol?
The canonical SMILES for (3R,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-1-en-4-ol is C=C[C@@H](C)[C@H](O)C[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-1-en-4-ol?
The InChIKey is FLHMXIJWUBADFI-JHJVBQTASA-N. The full InChI is InChI=1S/C14H30O2Si/c1-9-11(2)13(15)10-12(3)16-17(7,8)14(4,5)6/h9,11-13,15H,1,10H2,2-8H3/t11-,12-,13-/m1/s1.
What are the key properties of (3R,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-1-en-4-ol?
(3R,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-1-en-4-ol has a molecular weight of 258.48 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-1-en-4-ol is sourced from PubChem (CID 53329007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).