(10Z)-3-[tert-butyl(dimethyl)silyl]oxy-14-hydroxytetradeca-1,10-dien-1-one

C20H38O3Si — CID 134873855

IUPAC(10Z)-3-[tert-butyl(dimethyl)silyl]oxy-14-hydroxytetradeca-1,10-dien-1-one
SMILESCC(C)(C)[Si](C)(C)OC(C=C=O)CCCCCC/C=C\CCCO
InChIInChI=1S/C20H38O3Si/c1-20(2,3)24(4,5)23-19(16-18-22)15-13-11-9-7-6-8-10-12-14-17-21/h8,10,16,19,21H,6-7,9,11-15,17H2,1-5H3/b10-8-
InChIKeyLQNNUTIJPKHJLJ-NTMALXAHSA-N
MW354.61 g/mol
LogP5.43
Rot. Bonds13

About (10Z)-3-[tert-butyl(dimethyl)silyl]oxy-14-hydroxytetradeca-1,10-dien-1-one

(10Z)-3-[tert-butyl(dimethyl)silyl]oxy-14-hydroxytetradeca-1,10-dien-1-one (PubChem CID 134873855) has the molecular formula C20H38O3Si and a molecular weight of 354.61 g/mol. Its IUPAC name is (10Z)-3-[tert-butyl(dimethyl)silyl]oxy-14-hydroxytetradeca-1,10-dien-1-one.

Molecular Properties

Compound Name(10Z)-3-[tert-butyl(dimethyl)silyl]oxy-14-hydroxytetradeca-1,10-dien-1-one
PubChem CID134873855
Molecular FormulaC20H38O3Si
Molecular Weight354.61 g/mol
Exact Mass354.26
IUPAC Name(10Z)-3-[tert-butyl(dimethyl)silyl]oxy-14-hydroxytetradeca-1,10-dien-1-one
SMILESCC(C)(C)[Si](C)(C)OC(C=C=O)CCCCCC/C=C\CCCO
InChIInChI=1S/C20H38O3Si/c1-20(2,3)24(4,5)23-19(16-18-22)15-13-11-9-7-6-8-10-12-14-17-21/h8,10,16,19,21H,6-7,9,11-15,17H2,1-5H3/b10-8-
InChIKeyLQNNUTIJPKHJLJ-NTMALXAHSA-N
XLogP5.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.61
LogP ≤ 55.43
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'ketene', 'substructure': 'N/A'}

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Related Compounds

(Z)-12-[tert-butyl(dimethyl)silyl]oxy-14-ethoxytetradec-4-en-13-yn-1-ol
CID 11111747
3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclohex-2-en-1-yl]propan-1-ol
CID 12132314
(1Z,9Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)dodeca-1,9-dien-4-ol
CID 12964922
(E)-3-trimethylsilyldodec-2-ene-1,4-diol
CID 13382778
(1S,2Z,4S,7R)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]cyclooct-2-en-1-ol
CID 15543738
5-[Tert-butyl(dimethyl)silyl]oxy-1-(cyclohepten-1-yl)pentan-1-ol
CID 24795825
(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyundec-1-en-4-ol
CID 44478239
(3E)-1-[tert-butyl(dimethyl)silyl]oxy-3-hexylnona-3,8-dien-2-ol
CID 101365455
(4S,6S)-4-[tert-butyl(dimethyl)silyl]oxyundec-1-en-6-ol
CID 134836990
(Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-2-en-1-ol
CID 134846881
(1Z,10Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)trideca-1,10-dien-4-ol
CID 134878942
(Z)-6-trimethylsilyltetradec-5-en-7-ol
CID 134931656

Frequently Asked Questions

What is the IUPAC name of (10Z)-3-[tert-butyl(dimethyl)silyl]oxy-14-hydroxytetradeca-1,10-dien-1-one?
The IUPAC name of (10Z)-3-[tert-butyl(dimethyl)silyl]oxy-14-hydroxytetradeca-1,10-dien-1-one (CID 134873855) is (10Z)-3-[tert-butyl(dimethyl)silyl]oxy-14-hydroxytetradeca-1,10-dien-1-one.
What is the SMILES notation for (10Z)-3-[tert-butyl(dimethyl)silyl]oxy-14-hydroxytetradeca-1,10-dien-1-one?
The canonical SMILES for (10Z)-3-[tert-butyl(dimethyl)silyl]oxy-14-hydroxytetradeca-1,10-dien-1-one is CC(C)(C)[Si](C)(C)OC(C=C=O)CCCCCC/C=C\CCCO.
What is the InChIKey of (10Z)-3-[tert-butyl(dimethyl)silyl]oxy-14-hydroxytetradeca-1,10-dien-1-one?
The InChIKey is LQNNUTIJPKHJLJ-NTMALXAHSA-N. The full InChI is InChI=1S/C20H38O3Si/c1-20(2,3)24(4,5)23-19(16-18-22)15-13-11-9-7-6-8-10-12-14-17-21/h8,10,16,19,21H,6-7,9,11-15,17H2,1-5H3/b10-8-.
What are the key properties of (10Z)-3-[tert-butyl(dimethyl)silyl]oxy-14-hydroxytetradeca-1,10-dien-1-one?
(10Z)-3-[tert-butyl(dimethyl)silyl]oxy-14-hydroxytetradeca-1,10-dien-1-one has a molecular weight of 354.61 g/mol, XLogP of 5.43, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z)-3-[tert-butyl(dimethyl)silyl]oxy-14-hydroxytetradeca-1,10-dien-1-one is sourced from PubChem (CID 134873855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).