(4S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-methylideneoct-7-en-4-ol

C16H32O2Si — CID 134857037

IUPAC(4S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-methylideneoct-7-en-4-ol
SMILESC=C[C@@H](C)C[C@H](O)C(=C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-9-13(2)12-15(17)14(3)10-11-18-19(7,8)16(4,5)6/h9,13,15,17H,1,3,10-12H2,2,4-8H3/t13-,15+/m1/s1
InChIKeyQKXRLXKPBSRTLE-HIFRSBDPSA-N
MW284.52 g/mol
LogP4.53
Rot. Bonds8

About (4S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-methylideneoct-7-en-4-ol

(4S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-methylideneoct-7-en-4-ol (PubChem CID 134857037) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is (4S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-methylideneoct-7-en-4-ol.

Molecular Properties

Compound Name(4S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-methylideneoct-7-en-4-ol
PubChem CID134857037
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name(4S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-methylideneoct-7-en-4-ol
SMILESC=C[C@@H](C)C[C@H](O)C(=C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-9-13(2)12-15(17)14(3)10-11-18-19(7,8)16(4,5)6/h9,13,15,17H,1,3,10-12H2,2,4-8H3/t13-,15+/m1/s1
InChIKeyQKXRLXKPBSRTLE-HIFRSBDPSA-N
XLogP4.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.53
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 (4S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-methylideneoct-7-en-4-ol?
The IUPAC name of (4S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-methylideneoct-7-en-4-ol (CID 134857037) is (4S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-methylideneoct-7-en-4-ol.
What is the SMILES notation for (4S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-methylideneoct-7-en-4-ol?
The canonical SMILES for (4S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-methylideneoct-7-en-4-ol is C=C[C@@H](C)C[C@H](O)C(=C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-methylideneoct-7-en-4-ol?
The InChIKey is QKXRLXKPBSRTLE-HIFRSBDPSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-9-13(2)12-15(17)14(3)10-11-18-19(7,8)16(4,5)6/h9,13,15,17H,1,3,10-12H2,2,4-8H3/t13-,15+/m1/s1.
What are the key properties of (4S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-methylideneoct-7-en-4-ol?
(4S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-methylideneoct-7-en-4-ol has a molecular weight of 284.52 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-methylideneoct-7-en-4-ol is sourced from PubChem (CID 134857037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).