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

C14H30O3Si — CID 58797956

IUPAC(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylhex-5-en-2-ol
SMILESC=C(C)C[C@H](OC)[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O3Si/c1-11(2)9-13(16-6)12(15)10-17-18(7,8)14(3,4)5/h12-13,15H,1,9-10H2,2-8H3/t12-,13+/m1/s1
InChIKeyVVLHHDNBTGEXJI-OLZOCXBDSA-N
MW274.48 g/mol
LogP3.35
Rot. Bonds7

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

(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylhex-5-en-2-ol (PubChem CID 58797956) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is (2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylhex-5-en-2-ol.

Molecular Properties

Compound Name(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylhex-5-en-2-ol
PubChem CID58797956
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Name(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylhex-5-en-2-ol
SMILESC=C(C)C[C@H](OC)[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O3Si/c1-11(2)9-13(16-6)12(15)10-17-18(7,8)14(3,4)5/h12-13,15H,1,9-10H2,2-8H3/t12-,13+/m1/s1
InChIKeyVVLHHDNBTGEXJI-OLZOCXBDSA-N
XLogP3.35
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(2R,3R,4R,5R)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,3,4,5-tetrol
CID 11486689
(2S,3S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-(methoxymethoxy)butan-2-ol
CID 101252863
(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-1-en-2-ylbutane-1,3-diol
CID 10587455
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173
5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-ol
CID 13198877
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
(2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodobutane-1,3-diol
CID 102271148
(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
CID 86606837
(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-one
CID 11672982
methyl (2R,3R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
CID 134934318
(4S)-9-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-1-en-6-yn-4-ol
CID 132603328
(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 11148647

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylhex-5-en-2-ol?
The IUPAC name of (2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylhex-5-en-2-ol (CID 58797956) is (2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylhex-5-en-2-ol.
What is the SMILES notation for (2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylhex-5-en-2-ol?
The canonical SMILES for (2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylhex-5-en-2-ol is C=C(C)C[C@H](OC)[C@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylhex-5-en-2-ol?
The InChIKey is VVLHHDNBTGEXJI-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H30O3Si/c1-11(2)9-13(16-6)12(15)10-17-18(7,8)14(3,4)5/h12-13,15H,1,9-10H2,2-8H3/t12-,13+/m1/s1.
What are the key properties of (2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylhex-5-en-2-ol?
(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylhex-5-en-2-ol has a molecular weight of 274.48 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylhex-5-en-2-ol is sourced from PubChem (CID 58797956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).