(E,5R)-5-methyl-5-tri(propan-2-yl)silyloxyoct-2-en-1-ol

C18H38O2Si — CID 11709440

IUPAC(E,5R)-5-methyl-5-tri(propan-2-yl)silyloxyoct-2-en-1-ol
SMILESCCC[C@](C)(C/C=C/CO)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H38O2Si/c1-9-12-18(8,13-10-11-14-19)20-21(15(2)3,16(4)5)17(6)7/h10-11,15-17,19H,9,12-14H2,1-8H3/b11-10+/t18-/m1/s1
InChIKeyHKMHULLAVPBANL-DOJUMQAQSA-N
MW314.59 g/mol
LogP5.68
Rot. Bonds10

About (E,5R)-5-methyl-5-tri(propan-2-yl)silyloxyoct-2-en-1-ol

(E,5R)-5-methyl-5-tri(propan-2-yl)silyloxyoct-2-en-1-ol (PubChem CID 11709440) has the molecular formula C18H38O2Si and a molecular weight of 314.59 g/mol. Its IUPAC name is (E,5R)-5-methyl-5-tri(propan-2-yl)silyloxyoct-2-en-1-ol.

Molecular Properties

Compound Name(E,5R)-5-methyl-5-tri(propan-2-yl)silyloxyoct-2-en-1-ol
PubChem CID11709440
Molecular FormulaC18H38O2Si
Molecular Weight314.59 g/mol
Exact Mass314.26
IUPAC Name(E,5R)-5-methyl-5-tri(propan-2-yl)silyloxyoct-2-en-1-ol
SMILESCCC[C@](C)(C/C=C/CO)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H38O2Si/c1-9-12-18(8,13-10-11-14-19)20-21(15(2)3,16(4)5)17(6)7/h10-11,15-17,19H,9,12-14H2,1-8H3/b11-10+/t18-/m1/s1
InChIKeyHKMHULLAVPBANL-DOJUMQAQSA-N
XLogP5.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.59
LogP ≤ 55.68
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

(1E,3R,4S,5E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-1-iodo-2,6-dimethyldeca-1,5,9-trien-3-ol
CID 134953226
(Z)-4-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-1-fluoro-5-methylhex-2-en-1-ol
CID 88610375
(3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methylundeca-1,5-diene-4,8-diol
CID 11209176
(E)-4-propyl-3-trimethylsilylhept-2-ene-1,4-diol
CID 13382781
(E,4S,5S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-2-ene-4,6-diol
CID 44604556
(E,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-2-en-1-ol
CID 46933874
(E,5R,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-en-1-ol
CID 101778807
(3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methyl-8-triethylsilyloxyundeca-1,5-dien-4-ol
CID 102174700
(2E,4R,5R,7E)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,7-trimethylnona-2,7-dien-5-ol
CID 135009298
(5Z,7S,8S,9E)-12-[tert-butyl(dimethyl)silyl]oxy-3,5,7,10-tetramethyl-3-trimethylsilyldodeca-1,5,9-triene-4,8-diol
CID 135013679
(2E,6R,8E,12E)-14-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradeca-2,8,12-trien-10-yn-1-ol
CID 135021699
2-[tert-butyl(dimethyl)silyl]oxy-1-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]cyclopent-2-en-1-ol
CID 135032019

Frequently Asked Questions

What is the IUPAC name of (E,5R)-5-methyl-5-tri(propan-2-yl)silyloxyoct-2-en-1-ol?
The IUPAC name of (E,5R)-5-methyl-5-tri(propan-2-yl)silyloxyoct-2-en-1-ol (CID 11709440) is (E,5R)-5-methyl-5-tri(propan-2-yl)silyloxyoct-2-en-1-ol.
What is the SMILES notation for (E,5R)-5-methyl-5-tri(propan-2-yl)silyloxyoct-2-en-1-ol?
The canonical SMILES for (E,5R)-5-methyl-5-tri(propan-2-yl)silyloxyoct-2-en-1-ol is CCC[C@](C)(C/C=C/CO)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (E,5R)-5-methyl-5-tri(propan-2-yl)silyloxyoct-2-en-1-ol?
The InChIKey is HKMHULLAVPBANL-DOJUMQAQSA-N. The full InChI is InChI=1S/C18H38O2Si/c1-9-12-18(8,13-10-11-14-19)20-21(15(2)3,16(4)5)17(6)7/h10-11,15-17,19H,9,12-14H2,1-8H3/b11-10+/t18-/m1/s1.
What are the key properties of (E,5R)-5-methyl-5-tri(propan-2-yl)silyloxyoct-2-en-1-ol?
(E,5R)-5-methyl-5-tri(propan-2-yl)silyloxyoct-2-en-1-ol has a molecular weight of 314.59 g/mol, XLogP of 5.68, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5R)-5-methyl-5-tri(propan-2-yl)silyloxyoct-2-en-1-ol is sourced from PubChem (CID 11709440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).