(E)-1-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-7-yn-4-ol

C16H30O2Si — CID 101012128

IUPAC(E)-1-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-7-yn-4-ol
SMILESC#CCC(C)(C)C(O)/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-9-12-16(5,6)14(17)11-10-13-18-19(7,8)15(2,3)4/h1,10-11,14,17H,12-13H2,2-8H3/b11-10+
InChIKeyJVPLRBMVRBAKAK-ZHACJKMWSA-N
MW282.50 g/mol
LogP3.97
Rot. Bonds6

About (E)-1-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-7-yn-4-ol

(E)-1-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-7-yn-4-ol (PubChem CID 101012128) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is (E)-1-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-7-yn-4-ol.

Molecular Properties

Compound Name(E)-1-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-7-yn-4-ol
PubChem CID101012128
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name(E)-1-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-7-yn-4-ol
SMILESC#CCC(C)(C)C(O)/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-9-12-16(5,6)14(17)11-10-13-18-19(7,8)15(2,3)4/h1,10-11,14,17H,12-13H2,2-8H3/b11-10+
InChIKeyJVPLRBMVRBAKAK-ZHACJKMWSA-N
XLogP3.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 53.97
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

(6E)-4,4-dimethyl-8-trimethylsilylocta-1,6-dien-3-ol
CID 11042448
(E,3R)-5,5-dimethyl-1-[(1R,2R)-2-methyl-1-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]hept-1-en-6-yn-3-ol
CID 23643473
(E)-5,5-dimethyl-1-[(1R,2R)-2-methyl-1-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]hept-1-en-6-yn-3-ol
CID 134840190
(3R,8S,9Z)-8-[tert-butyl(dimethyl)silyl]oxytrideca-1,9-dien-4,6-diyn-3-ol
CID 134974570
(2E,6E,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethylcycloundeca-2,6-dien-10-yn-1-ol
CID 135068695
(E,4S)-1-[tert-butyl(dimethyl)silyl]oxyoct-5-en-7-yn-4-ol
CID 146162327
(Z,3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-4-en-6-yn-3-ol
CID 146162737
(E,5S)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-en-7-yn-1-ol
CID 11107906
5-[Tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-1-en-7-yn-3-ol
CID 23028912
5-[Tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-1-en-6-yn-3-ol
CID 60015085
6-[Tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-4-ol
CID 91552534
(E)-5,5-dimethyloct-2-en-7-yn-4-ol
CID 118309672

Frequently Asked Questions

What is the IUPAC name of (E)-1-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-7-yn-4-ol?
The IUPAC name of (E)-1-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-7-yn-4-ol (CID 101012128) is (E)-1-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-7-yn-4-ol.
What is the SMILES notation for (E)-1-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-7-yn-4-ol?
The canonical SMILES for (E)-1-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-7-yn-4-ol is C#CCC(C)(C)C(O)/C=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-1-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-7-yn-4-ol?
The InChIKey is JVPLRBMVRBAKAK-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-9-12-16(5,6)14(17)11-10-13-18-19(7,8)15(2,3)4/h1,10-11,14,17H,12-13H2,2-8H3/b11-10+.
What are the key properties of (E)-1-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-7-yn-4-ol?
(E)-1-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-7-yn-4-ol has a molecular weight of 282.50 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-7-yn-4-ol is sourced from PubChem (CID 101012128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).