(5S)-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol

C16H34O2Si — CID 46850138

IUPAC(5S)-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol
SMILESC=C[C@H](CCCCO)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H34O2Si/c1-8-16(11-9-10-12-17)18-19(13(2)3,14(4)5)15(6)7/h8,13-17H,1,9-12H2,2-7H3/t16-/m1/s1
InChIKeyXZKOICGNHDFQFA-MRXNPFEDSA-N
MW286.53 g/mol
LogP4.90
Rot. Bonds10

About (5S)-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol

(5S)-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol (PubChem CID 46850138) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is (5S)-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol.

Molecular Properties

Compound Name(5S)-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol
PubChem CID46850138
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Name(5S)-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol
SMILESC=C[C@H](CCCCO)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H34O2Si/c1-8-16(11-9-10-12-17)18-19(13(2)3,14(4)5)15(6)7/h8,13-17H,1,9-12H2,2-7H3/t16-/m1/s1
InChIKeyXZKOICGNHDFQFA-MRXNPFEDSA-N
XLogP4.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.53
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-[tert-butyl(dimethyl)silyl]oxynona-1,8-dien-5-ol
CID 168266624
(E,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-7-tributylstannyl-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol
CID 11468178
(4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-1-en-3-ol
CID 16006964
(4S,8S)-6-[tert-butyl(dimethyl)silyl]oxyundeca-1,10-diene-4,8-diol
CID 16059317
(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxyoct-7-en-4-ol
CID 16084239
(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxydec-9-ene-1,3-diol
CID 16119966
(3S)-7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-ol
CID 17755256
(4S,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-en-4-ol
CID 45113734
(4R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-en-4-ol
CID 46186047
7-((tert-Butyldimethylsilyl)oxy)hept-1-en-3-ol
CID 46850137
3-Tri(propan-2-yl)silyloxynon-1-en-4-ol
CID 86173982
(E,5S,9R)-5-[tert-butyl(dimethyl)silyl]oxydodec-6-ene-1,9-diol
CID 134837176

Frequently Asked Questions

What is the IUPAC name of (5S)-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol?
The IUPAC name of (5S)-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol (CID 46850138) is (5S)-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol.
What is the SMILES notation for (5S)-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol?
The canonical SMILES for (5S)-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol is C=C[C@H](CCCCO)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (5S)-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol?
The InChIKey is XZKOICGNHDFQFA-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H34O2Si/c1-8-16(11-9-10-12-17)18-19(13(2)3,14(4)5)15(6)7/h8,13-17H,1,9-12H2,2-7H3/t16-/m1/s1.
What are the key properties of (5S)-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol?
(5S)-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol has a molecular weight of 286.53 g/mol, XLogP of 4.90, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol is sourced from PubChem (CID 46850138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).