(3R,7S)-7-methyl-8-tri(propan-2-yl)silyloxyoct-1-en-3-ol

C18H38O2Si — CID 11738553

IUPAC(3R,7S)-7-methyl-8-tri(propan-2-yl)silyloxyoct-1-en-3-ol
SMILESC=C[C@H](O)CCC[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H38O2Si/c1-9-18(19)12-10-11-17(8)13-20-21(14(2)3,15(4)5)16(6)7/h9,14-19H,1,10-13H2,2-8H3/t17-,18-/m0/s1
InChIKeyAEMJNYISOIRWIM-ROUUACIJSA-N
MW314.59 g/mol
LogP5.53
Rot. Bonds11

About (3R,7S)-7-methyl-8-tri(propan-2-yl)silyloxyoct-1-en-3-ol

(3R,7S)-7-methyl-8-tri(propan-2-yl)silyloxyoct-1-en-3-ol (PubChem CID 11738553) has the molecular formula C18H38O2Si and a molecular weight of 314.59 g/mol. Its IUPAC name is (3R,7S)-7-methyl-8-tri(propan-2-yl)silyloxyoct-1-en-3-ol.

Molecular Properties

Compound Name(3R,7S)-7-methyl-8-tri(propan-2-yl)silyloxyoct-1-en-3-ol
PubChem CID11738553
Molecular FormulaC18H38O2Si
Molecular Weight314.59 g/mol
Exact Mass314.26
IUPAC Name(3R,7S)-7-methyl-8-tri(propan-2-yl)silyloxyoct-1-en-3-ol
SMILESC=C[C@H](O)CCC[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H38O2Si/c1-9-18(19)12-10-11-17(8)13-20-21(14(2)3,15(4)5)16(6)7/h9,14-19H,1,10-13H2,2-8H3/t17-,18-/m0/s1
InChIKeyAEMJNYISOIRWIM-ROUUACIJSA-N
XLogP5.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.59
LogP ≤ 55.53
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

bromozinc(1+);[(2S)-2-methylpentoxy]-tri(propan-2-yl)silane
CID 56957600
undec-10-ene-2,9-diol
CID 174994390
6-methoxyhex-1-en-3-ol
CID 105108568
non-1-ene-3,7-diol
CID 22245625
(3R,7S,8Z)-7-methyldeca-1,8-dien-3-ol
CID 10931836
[(2S)-3-methoxy-2-methylpropoxy]-tri(propan-2-yl)silane
CID 57434729
(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-ol
CID 45101596
undec-1-en-3-ol
CID 3015762
(3R)-dec-1-en-3-ol
CID 12619485
heptadec-1-en-3-ol
CID 11858939
hept-6-ene-1,5-diol
CID 13479548
(2R)-2-[tri(propan-2-yl)silyloxymethyl]pentanal
CID 101236071

Frequently Asked Questions

What is the IUPAC name of (3R,7S)-7-methyl-8-tri(propan-2-yl)silyloxyoct-1-en-3-ol?
The IUPAC name of (3R,7S)-7-methyl-8-tri(propan-2-yl)silyloxyoct-1-en-3-ol (CID 11738553) is (3R,7S)-7-methyl-8-tri(propan-2-yl)silyloxyoct-1-en-3-ol.
What is the SMILES notation for (3R,7S)-7-methyl-8-tri(propan-2-yl)silyloxyoct-1-en-3-ol?
The canonical SMILES for (3R,7S)-7-methyl-8-tri(propan-2-yl)silyloxyoct-1-en-3-ol is C=C[C@H](O)CCC[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (3R,7S)-7-methyl-8-tri(propan-2-yl)silyloxyoct-1-en-3-ol?
The InChIKey is AEMJNYISOIRWIM-ROUUACIJSA-N. The full InChI is InChI=1S/C18H38O2Si/c1-9-18(19)12-10-11-17(8)13-20-21(14(2)3,15(4)5)16(6)7/h9,14-19H,1,10-13H2,2-8H3/t17-,18-/m0/s1.
What are the key properties of (3R,7S)-7-methyl-8-tri(propan-2-yl)silyloxyoct-1-en-3-ol?
(3R,7S)-7-methyl-8-tri(propan-2-yl)silyloxyoct-1-en-3-ol has a molecular weight of 314.59 g/mol, XLogP of 5.53, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7S)-7-methyl-8-tri(propan-2-yl)silyloxyoct-1-en-3-ol is sourced from PubChem (CID 11738553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).