(3S,5Z,7R)-7-(2-trimethylsilylethoxymethoxy)octa-1,5-dien-3-ol

C14H28O3Si — CID 11011145

IUPAC(3S,5Z,7R)-7-(2-trimethylsilylethoxymethoxy)octa-1,5-dien-3-ol
SMILESC=C[C@@H](O)C/C=C\[C@@H](C)OCOCC[Si](C)(C)C
InChIInChI=1S/C14H28O3Si/c1-6-14(15)9-7-8-13(2)17-12-16-10-11-18(3,4)5/h6-8,13-15H,1,9-12H2,2-5H3/b8-7-/t13-,14-/m1/s1
InChIKeyKHFDCMQDOUOPIM-JUBSNLHESA-N
MW272.46 g/mol
LogP3.20
Rot. Bonds10

About (3S,5Z,7R)-7-(2-trimethylsilylethoxymethoxy)octa-1,5-dien-3-ol

(3S,5Z,7R)-7-(2-trimethylsilylethoxymethoxy)octa-1,5-dien-3-ol (PubChem CID 11011145) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is (3S,5Z,7R)-7-(2-trimethylsilylethoxymethoxy)octa-1,5-dien-3-ol.

Molecular Properties

Compound Name(3S,5Z,7R)-7-(2-trimethylsilylethoxymethoxy)octa-1,5-dien-3-ol
PubChem CID11011145
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name(3S,5Z,7R)-7-(2-trimethylsilylethoxymethoxy)octa-1,5-dien-3-ol
SMILESC=C[C@@H](O)C/C=C\[C@@H](C)OCOCC[Si](C)(C)C
InChIInChI=1S/C14H28O3Si/c1-6-14(15)9-7-8-13(2)17-12-16-10-11-18(3,4)5/h6-8,13-15H,1,9-12H2,2-5H3/b8-7-/t13-,14-/m1/s1
InChIKeyKHFDCMQDOUOPIM-JUBSNLHESA-N
XLogP3.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S,5Z,7R)-7-(2-trimethylsilylethoxymethoxy)octa-1,5-dien-3-ol?
The IUPAC name of (3S,5Z,7R)-7-(2-trimethylsilylethoxymethoxy)octa-1,5-dien-3-ol (CID 11011145) is (3S,5Z,7R)-7-(2-trimethylsilylethoxymethoxy)octa-1,5-dien-3-ol.
What is the SMILES notation for (3S,5Z,7R)-7-(2-trimethylsilylethoxymethoxy)octa-1,5-dien-3-ol?
The canonical SMILES for (3S,5Z,7R)-7-(2-trimethylsilylethoxymethoxy)octa-1,5-dien-3-ol is C=C[C@@H](O)C/C=C\[C@@H](C)OCOCC[Si](C)(C)C.
What is the InChIKey of (3S,5Z,7R)-7-(2-trimethylsilylethoxymethoxy)octa-1,5-dien-3-ol?
The InChIKey is KHFDCMQDOUOPIM-JUBSNLHESA-N. The full InChI is InChI=1S/C14H28O3Si/c1-6-14(15)9-7-8-13(2)17-12-16-10-11-18(3,4)5/h6-8,13-15H,1,9-12H2,2-5H3/b8-7-/t13-,14-/m1/s1.
What are the key properties of (3S,5Z,7R)-7-(2-trimethylsilylethoxymethoxy)octa-1,5-dien-3-ol?
(3S,5Z,7R)-7-(2-trimethylsilylethoxymethoxy)octa-1,5-dien-3-ol has a molecular weight of 272.46 g/mol, XLogP of 3.20, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5Z,7R)-7-(2-trimethylsilylethoxymethoxy)octa-1,5-dien-3-ol is sourced from PubChem (CID 11011145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).