(5E)-3-trimethylsilylhepta-1,2,5-trien-4-ol

C10H18OSi — CID 11137773

IUPAC(5E)-3-trimethylsilylhepta-1,2,5-trien-4-ol
SMILESC=C=C(C(O)/C=C/C)[Si](C)(C)C
InChIInChI=1S/C10H18OSi/c1-6-8-9(11)10(7-2)12(3,4)5/h6,8-9,11H,2H2,1,3-5H3/b8-6+
InChIKeyODQOMMRZYHBBNE-SOFGYWHQSA-N
MW182.34 g/mol
LogP2.51
Rot. Bonds3

About (5E)-3-trimethylsilylhepta-1,2,5-trien-4-ol

(5E)-3-trimethylsilylhepta-1,2,5-trien-4-ol (PubChem CID 11137773) has the molecular formula C10H18OSi and a molecular weight of 182.34 g/mol. Its IUPAC name is (5E)-3-trimethylsilylhepta-1,2,5-trien-4-ol.

Molecular Properties

Compound Name(5E)-3-trimethylsilylhepta-1,2,5-trien-4-ol
PubChem CID11137773
Molecular FormulaC10H18OSi
Molecular Weight182.34 g/mol
Exact Mass182.11
IUPAC Name(5E)-3-trimethylsilylhepta-1,2,5-trien-4-ol
SMILESC=C=C(C(O)/C=C/C)[Si](C)(C)C
InChIInChI=1S/C10H18OSi/c1-6-8-9(11)10(7-2)12(3,4)5/h6,8-9,11H,2H2,1,3-5H3/b8-6+
InChIKeyODQOMMRZYHBBNE-SOFGYWHQSA-N
XLogP2.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(+/-)-trans-4-(Trimethylsilyl)-3-buten-2-ol
CID 10351819
(Z)-2-trimethylsilylhept-2-en-1-ol
CID 11745353
(E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-en-1-ol
CID 12194985
(Z)-5-((tert-butyldimethylsilyl)oxy)pent-2-en-1-ol
CID 15689848
3-Buten-2-ol, 4-(trimethylsilyl)-
CID 53756305
Methyl-2,6-octadien-1-ol
CID 73857056
Trimethyl[(pent-3-en-2-yl)oxy]silane
CID 57043187
(Z,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-en-1-ol
CID 10488936
(Z)-8-trimethylsilyloct-5-en-7-yn-4-ol
CID 10797972
(E,2R)-6-trimethylsilylhex-3-en-5-yn-2-ol
CID 11355705
(E,2R)-4-trimethylsilylbut-3-en-2-ol
CID 12516693
(1E,5E)-1-trimethylsilylhepta-1,5-dien-4-ol
CID 12715341

Frequently Asked Questions

What is the IUPAC name of (5E)-3-trimethylsilylhepta-1,2,5-trien-4-ol?
The IUPAC name of (5E)-3-trimethylsilylhepta-1,2,5-trien-4-ol (CID 11137773) is (5E)-3-trimethylsilylhepta-1,2,5-trien-4-ol.
What is the SMILES notation for (5E)-3-trimethylsilylhepta-1,2,5-trien-4-ol?
The canonical SMILES for (5E)-3-trimethylsilylhepta-1,2,5-trien-4-ol is C=C=C(C(O)/C=C/C)[Si](C)(C)C.
What is the InChIKey of (5E)-3-trimethylsilylhepta-1,2,5-trien-4-ol?
The InChIKey is ODQOMMRZYHBBNE-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H18OSi/c1-6-8-9(11)10(7-2)12(3,4)5/h6,8-9,11H,2H2,1,3-5H3/b8-6+.
What are the key properties of (5E)-3-trimethylsilylhepta-1,2,5-trien-4-ol?
(5E)-3-trimethylsilylhepta-1,2,5-trien-4-ol has a molecular weight of 182.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-trimethylsilylhepta-1,2,5-trien-4-ol is sourced from PubChem (CID 11137773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).