(E,2R,5S)-7-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhept-3-en-1-ol

C15H32O2Si — CID 135045339

IUPAC(E,2R,5S)-7-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhept-3-en-1-ol
SMILESC[C@H](/C=C/[C@@H](C)CCO[Si](C)(C)C(C)(C)C)CO
InChIInChI=1S/C15H32O2Si/c1-13(8-9-14(2)12-16)10-11-17-18(6,7)15(3,4)5/h8-9,13-14,16H,10-12H2,1-7H3/b9-8+/t13-,14-/m1/s1
InChIKeyBBXFTZYFBKJCMQ-SJXIGLKTSA-N
MW272.50 g/mol
LogP4.22
Rot. Bonds7

About (E,2R,5S)-7-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhept-3-en-1-ol

(E,2R,5S)-7-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhept-3-en-1-ol (PubChem CID 135045339) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is (E,2R,5S)-7-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhept-3-en-1-ol.

Molecular Properties

Compound Name(E,2R,5S)-7-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhept-3-en-1-ol
PubChem CID135045339
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Name(E,2R,5S)-7-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhept-3-en-1-ol
SMILESC[C@H](/C=C/[C@@H](C)CCO[Si](C)(C)C(C)(C)C)CO
InChIInChI=1S/C15H32O2Si/c1-13(8-9-14(2)12-16)10-11-17-18(6,7)15(3,4)5/h8-9,13-14,16H,10-12H2,1-7H3/b9-8+/t13-,14-/m1/s1
InChIKeyBBXFTZYFBKJCMQ-SJXIGLKTSA-N
XLogP4.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 54.22
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

(3R,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhexane-1,2,4-triol
CID 10755088
tert-butyl-dimethyl-(3-methylhept-5-enoxy)silane
CID 57087962
[(3R)-4-bromo-3-methylbutoxy]-tert-butyl-dimethylsilane
CID 10902026
(3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylpentan-1-ol
CID 10467808
[(3S)-3-bromobutoxy]-tert-butyl-dimethylsilane
CID 125499133
methyl (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate
CID 11219571
(3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-ol
CID 11425088
(3S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-2,3-diol
CID 71545770
methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 14234520
(Z,5R)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-ene-1,5-diol
CID 53255144
ethyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 101084181
(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine
CID 125493831

Frequently Asked Questions

What is the IUPAC name of (E,2R,5S)-7-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhept-3-en-1-ol?
The IUPAC name of (E,2R,5S)-7-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhept-3-en-1-ol (CID 135045339) is (E,2R,5S)-7-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhept-3-en-1-ol.
What is the SMILES notation for (E,2R,5S)-7-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhept-3-en-1-ol?
The canonical SMILES for (E,2R,5S)-7-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhept-3-en-1-ol is C[C@H](/C=C/[C@@H](C)CCO[Si](C)(C)C(C)(C)C)CO.
What is the InChIKey of (E,2R,5S)-7-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhept-3-en-1-ol?
The InChIKey is BBXFTZYFBKJCMQ-SJXIGLKTSA-N. The full InChI is InChI=1S/C15H32O2Si/c1-13(8-9-14(2)12-16)10-11-17-18(6,7)15(3,4)5/h8-9,13-14,16H,10-12H2,1-7H3/b9-8+/t13-,14-/m1/s1.
What are the key properties of (E,2R,5S)-7-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhept-3-en-1-ol?
(E,2R,5S)-7-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhept-3-en-1-ol has a molecular weight of 272.50 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,5S)-7-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhept-3-en-1-ol is sourced from PubChem (CID 135045339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).