(4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-en-1-ol

C13H28O2Si — CID 134858233

IUPAC(4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-en-1-ol
SMILESC=CC[C@H](CCCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-7-9-12(10-8-11-14)15-16(5,6)13(2,3)4/h7,12,14H,1,8-11H2,2-6H3/t12-/m1/s1
InChIKeyFSAZDNOOYLAPCW-GFCCVEGCSA-N
MW244.45 g/mol
LogP3.73
Rot. Bonds7

About (4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-en-1-ol

(4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-en-1-ol (PubChem CID 134858233) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is (4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-en-1-ol.

Molecular Properties

Compound Name(4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-en-1-ol
PubChem CID134858233
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name(4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-en-1-ol
SMILESC=CC[C@H](CCCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-7-9-12(10-8-11-14)15-16(5,6)13(2,3)4/h7,12,14H,1,8-11H2,2-6H3/t12-/m1/s1
InChIKeyFSAZDNOOYLAPCW-GFCCVEGCSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
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'}

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Related Compounds

(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-ol
CID 11715728
(4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-ol
CID 13523917
(4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-ol
CID 13523918
3-[Tert-butyl(dimethyl)silyl]oxyhex-5-en-1-ol
CID 85798469
(3S)-3-[tert-butyl(dimethyl)silyl]oxynona-1,8-dien-5-ol
CID 168266624
5-Hexen-3-ol, 1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 10988080
(3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-ol
CID 10999289
(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 11148647
(3S)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-ol
CID 71534218
1-[1-Fluorobutyl(dimethyl)silyl]oxyhex-5-en-3-ol
CID 87895074
6-[(Tert-butyldimethylsilyl)oxy]hex-1-en-3-ol
CID 10823381
(E)-1-trimethylsilyloct-1-en-4-ol
CID 10584209

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-en-1-ol?
The IUPAC name of (4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-en-1-ol (CID 134858233) is (4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-en-1-ol.
What is the SMILES notation for (4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-en-1-ol?
The canonical SMILES for (4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-en-1-ol is C=CC[C@H](CCCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-en-1-ol?
The InChIKey is FSAZDNOOYLAPCW-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-7-9-12(10-8-11-14)15-16(5,6)13(2,3)4/h7,12,14H,1,8-11H2,2-6H3/t12-/m1/s1.
What are the key properties of (4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-en-1-ol?
(4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-en-1-ol has a molecular weight of 244.45 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-en-1-ol is sourced from PubChem (CID 134858233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).