(5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-1-en-7-yn-3-ol

C15H28O2Si — CID 102367783

IUPAC(5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-1-en-7-yn-3-ol
SMILESC#CC[C@](C)(CC(O)C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-9-11-15(6,12-13(16)10-2)17-18(7,8)14(3,4)5/h1,10,13,16H,2,11-12H2,3-8H3/t13?,15-/m1/s1
InChIKeySFYMQNOOLHBITI-AWKYBWMHSA-N
MW268.47 g/mol
LogP3.73
Rot. Bonds6

About (5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-1-en-7-yn-3-ol

(5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-1-en-7-yn-3-ol (PubChem CID 102367783) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is (5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-1-en-7-yn-3-ol.

Molecular Properties

Compound Name(5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-1-en-7-yn-3-ol
PubChem CID102367783
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name(5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-1-en-7-yn-3-ol
SMILESC#CC[C@](C)(CC(O)C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-9-11-15(6,12-13(16)10-2)17-18(7,8)14(3,4)5/h1,10,13,16H,2,11-12H2,3-8H3/t13?,15-/m1/s1
InChIKeySFYMQNOOLHBITI-AWKYBWMHSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.73
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-1-en-7-yn-3-ol?
The IUPAC name of (5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-1-en-7-yn-3-ol (CID 102367783) is (5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-1-en-7-yn-3-ol.
What is the SMILES notation for (5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-1-en-7-yn-3-ol?
The canonical SMILES for (5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-1-en-7-yn-3-ol is C#CC[C@](C)(CC(O)C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-1-en-7-yn-3-ol?
The InChIKey is SFYMQNOOLHBITI-AWKYBWMHSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-9-11-15(6,12-13(16)10-2)17-18(7,8)14(3,4)5/h1,10,13,16H,2,11-12H2,3-8H3/t13?,15-/m1/s1.
What are the key properties of (5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-1-en-7-yn-3-ol?
(5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-1-en-7-yn-3-ol has a molecular weight of 268.47 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-1-en-7-yn-3-ol is sourced from PubChem (CID 102367783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).