(Z,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-3-en-1-ol

C15H32O2Si — CID 134966994

IUPAC(Z,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-3-en-1-ol
SMILESC/C(=C/[C@@H](C)[C@@H](C)O[Si](C)(C)C(C)(C)C)CCO
InChIInChI=1S/C15H32O2Si/c1-12(9-10-16)11-13(2)14(3)17-18(7,8)15(4,5)6/h11,13-14,16H,9-10H2,1-8H3/b12-11-/t13-,14-/m1/s1
InChIKeyNIHVOUIBHUKAPN-QDLRVKAISA-N
MW272.50 g/mol
LogP4.36
Rot. Bonds6

About (Z,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-3-en-1-ol

(Z,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-3-en-1-ol (PubChem CID 134966994) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is (Z,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-3-en-1-ol.

Molecular Properties

Compound Name(Z,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-3-en-1-ol
PubChem CID134966994
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Name(Z,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-3-en-1-ol
SMILESC/C(=C/[C@@H](C)[C@@H](C)O[Si](C)(C)C(C)(C)C)CCO
InChIInChI=1S/C15H32O2Si/c1-12(9-10-16)11-13(2)14(3)17-18(7,8)15(4,5)6/h11,13-14,16H,9-10H2,1-8H3/b12-11-/t13-,14-/m1/s1
InChIKeyNIHVOUIBHUKAPN-QDLRVKAISA-N
XLogP4.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 54.36
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 (Z,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-3-en-1-ol?
The IUPAC name of (Z,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-3-en-1-ol (CID 134966994) is (Z,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-3-en-1-ol.
What is the SMILES notation for (Z,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-3-en-1-ol?
The canonical SMILES for (Z,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-3-en-1-ol is C/C(=C/[C@@H](C)[C@@H](C)O[Si](C)(C)C(C)(C)C)CCO.
What is the InChIKey of (Z,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-3-en-1-ol?
The InChIKey is NIHVOUIBHUKAPN-QDLRVKAISA-N. The full InChI is InChI=1S/C15H32O2Si/c1-12(9-10-16)11-13(2)14(3)17-18(7,8)15(4,5)6/h11,13-14,16H,9-10H2,1-8H3/b12-11-/t13-,14-/m1/s1.
What are the key properties of (Z,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-3-en-1-ol?
(Z,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-3-en-1-ol has a molecular weight of 272.50 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-3-en-1-ol is sourced from PubChem (CID 134966994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).