(2S,4Z,7Z)-2-[tert-butyl(dimethyl)silyl]oxydeca-4,7-dien-1-ol

C16H32O2Si — CID 23661055

IUPAC(2S,4Z,7Z)-2-[tert-butyl(dimethyl)silyl]oxydeca-4,7-dien-1-ol
SMILESCC/C=C\C/C=C\C[C@@H](CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-7-8-9-10-11-12-13-15(14-17)18-19(5,6)16(2,3)4/h8-9,11-12,15,17H,7,10,13-14H2,1-6H3/b9-8-,12-11-/t15-/m0/s1
InChIKeyPPURTDRBRCZTFX-DXDAJUGHSA-N
MW284.52 g/mol
LogP4.67
Rot. Bonds8

About (2S,4Z,7Z)-2-[tert-butyl(dimethyl)silyl]oxydeca-4,7-dien-1-ol

(2S,4Z,7Z)-2-[tert-butyl(dimethyl)silyl]oxydeca-4,7-dien-1-ol (PubChem CID 23661055) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is (2S,4Z,7Z)-2-[tert-butyl(dimethyl)silyl]oxydeca-4,7-dien-1-ol.

Molecular Properties

Compound Name(2S,4Z,7Z)-2-[tert-butyl(dimethyl)silyl]oxydeca-4,7-dien-1-ol
PubChem CID23661055
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name(2S,4Z,7Z)-2-[tert-butyl(dimethyl)silyl]oxydeca-4,7-dien-1-ol
SMILESCC/C=C\C/C=C\C[C@@H](CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-7-8-9-10-11-12-13-15(14-17)18-19(5,6)16(2,3)4/h8-9,11-12,15,17H,7,10,13-14H2,1-6H3/b9-8-,12-11-/t15-/m0/s1
InChIKeyPPURTDRBRCZTFX-DXDAJUGHSA-N
XLogP4.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.67
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

(Z,2R)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorohex-4-ene-1,2-diol
CID 102039375
(1R,6S)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-ol
CID 10823268
(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 11148647
(1S,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-ol
CID 58012739
(2Z,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hepta-2,6-dien-1-ol
CID 134950412
(Z,2R,3S)-3-methyl-1-tri(propan-2-yl)silyloxyhex-4-en-2-ol
CID 10968145
(2R)-2-triethylsilyloxypent-4-en-1-ol
CID 11378941
(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-en-2-ol
CID 11413584
(1S,2S,3S)-3-[hydroxy(dimethyl)silyl]cyclohex-4-ene-1,2-diol
CID 11830190
(1Z,7E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)trideca-1,7-dien-4-ol
CID 12014235
1-Tri(propan-2-yl)silyloxypent-4-en-2-ol
CID 12153136
(3E)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-3,6-dien-2-ol
CID 14494227

Frequently Asked Questions

What is the IUPAC name of (2S,4Z,7Z)-2-[tert-butyl(dimethyl)silyl]oxydeca-4,7-dien-1-ol?
The IUPAC name of (2S,4Z,7Z)-2-[tert-butyl(dimethyl)silyl]oxydeca-4,7-dien-1-ol (CID 23661055) is (2S,4Z,7Z)-2-[tert-butyl(dimethyl)silyl]oxydeca-4,7-dien-1-ol.
What is the SMILES notation for (2S,4Z,7Z)-2-[tert-butyl(dimethyl)silyl]oxydeca-4,7-dien-1-ol?
The canonical SMILES for (2S,4Z,7Z)-2-[tert-butyl(dimethyl)silyl]oxydeca-4,7-dien-1-ol is CC/C=C\C/C=C\C[C@@H](CO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,4Z,7Z)-2-[tert-butyl(dimethyl)silyl]oxydeca-4,7-dien-1-ol?
The InChIKey is PPURTDRBRCZTFX-DXDAJUGHSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-7-8-9-10-11-12-13-15(14-17)18-19(5,6)16(2,3)4/h8-9,11-12,15,17H,7,10,13-14H2,1-6H3/b9-8-,12-11-/t15-/m0/s1.
What are the key properties of (2S,4Z,7Z)-2-[tert-butyl(dimethyl)silyl]oxydeca-4,7-dien-1-ol?
(2S,4Z,7Z)-2-[tert-butyl(dimethyl)silyl]oxydeca-4,7-dien-1-ol has a molecular weight of 284.52 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4Z,7Z)-2-[tert-butyl(dimethyl)silyl]oxydeca-4,7-dien-1-ol is sourced from PubChem (CID 23661055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).