(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-en-3-ol

C13H28O2Si — CID 11276618

IUPAC(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-en-3-ol
SMILESC=CC[C@@H](O)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-8-9-12(14)11(2)10-15-16(6,7)13(3,4)5/h8,11-12,14H,1,9-10H2,2-7H3/t11-,12-/m1/s1
InChIKeyBGRZRKHPNBYWOY-VXGBXAGGSA-N
MW244.45 g/mol
LogP3.58
Rot. Bonds6

About (2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-en-3-ol

(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-en-3-ol (PubChem CID 11276618) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is (2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-en-3-ol.

Molecular Properties

Compound Name(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-en-3-ol
PubChem CID11276618
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-en-3-ol
SMILESC=CC[C@@H](O)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-8-9-12(14)11(2)10-15-16(6,7)13(3,4)5/h8,11-12,14H,1,9-10H2,2-7H3/t11-,12-/m1/s1
InChIKeyBGRZRKHPNBYWOY-VXGBXAGGSA-N
XLogP3.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 53.58
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

(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 11148647
1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypent-4-en-2-ol
CID 10955810
5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-ol
CID 13198877
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173
(5S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,6-dimethylheptan-3-one
CID 101412599
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
tert-butyl-dimethyl-[(2R,3R)-2,3,6-trimethylhept-5-enoxy]silane
CID 154722229
(2R,3R,4R,5R)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,3,4,5-tetrol
CID 11486689
1-methoxy-2-methylhex-5-en-3-ol
CID 116502507
(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-trimethylsilylpent-1-yn-3-ol
CID 71561744
(E,2S,3R)-1,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-dimethylhept-4-en-3-ol
CID 101339681
tert-butyl-[(2S,3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-3,4-dimethylhept-6-enoxy]-dimethylsilane
CID 11102001

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-en-3-ol?
The IUPAC name of (2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-en-3-ol (CID 11276618) is (2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-en-3-ol.
What is the SMILES notation for (2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-en-3-ol?
The canonical SMILES for (2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-en-3-ol is C=CC[C@@H](O)[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-en-3-ol?
The InChIKey is BGRZRKHPNBYWOY-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-8-9-12(14)11(2)10-15-16(6,7)13(3,4)5/h8,11-12,14H,1,9-10H2,2-7H3/t11-,12-/m1/s1.
What are the key properties of (2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-en-3-ol?
(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-en-3-ol has a molecular weight of 244.45 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-en-3-ol is sourced from PubChem (CID 11276618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).