(4E,6S,8E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-4,8-dien-2,10-diyn-6-ol

C18H28O2Si — CID 134972072

IUPAC(4E,6S,8E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-4,8-dien-2,10-diyn-6-ol
SMILESCC#C/C=C/[C@@H](O)C/C=C/C#CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H28O2Si/c1-7-8-11-14-17(19)15-12-9-10-13-16-20-21(5,6)18(2,3)4/h9,11-12,14,17,19H,15-16H2,1-6H3/b12-9+,14-11+/t17-/m1/s1
InChIKeyNHXPQJSFWUZPKI-NWJAVDNSSA-N
MW304.51 g/mol
LogP3.90
Rot. Bonds5

About (4E,6S,8E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-4,8-dien-2,10-diyn-6-ol

(4E,6S,8E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-4,8-dien-2,10-diyn-6-ol (PubChem CID 134972072) has the molecular formula C18H28O2Si and a molecular weight of 304.51 g/mol. Its IUPAC name is (4E,6S,8E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-4,8-dien-2,10-diyn-6-ol.

Molecular Properties

Compound Name(4E,6S,8E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-4,8-dien-2,10-diyn-6-ol
PubChem CID134972072
Molecular FormulaC18H28O2Si
Molecular Weight304.51 g/mol
Exact Mass304.19
IUPAC Name(4E,6S,8E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-4,8-dien-2,10-diyn-6-ol
SMILESCC#C/C=C/[C@@H](O)C/C=C/C#CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H28O2Si/c1-7-8-11-14-17(19)15-12-9-10-13-16-20-21(5,6)18(2,3)4/h9,11-12,14,17,19H,15-16H2,1-6H3/b12-9+,14-11+/t17-/m1/s1
InChIKeyNHXPQJSFWUZPKI-NWJAVDNSSA-N
XLogP3.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.51
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (4E,6S,8E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-4,8-dien-2,10-diyn-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl-[(Z)-hex-2-en-4-ynoxy]-dimethylsilane
CID 121012872
tert-butyl-dimethyl-[(E)-7-trimethylsilylhept-4-en-2,6-diynoxy]silane
CID 14377973
5-[tert-butyl(dimethyl)silyl]oxypent-3-yn-2-ol
CID 59595119
(3S,5S)-10-[tert-butyl(dimethyl)silyl]oxydec-1-en-8-yne-3,5-diol
CID 11472058
(2S,3Z,6S)-1-[tert-butyl(dimethyl)silyl]oxyocta-3,7-diene-2,6-diol
CID 10540140
(Z,2S,6R)-1-[tert-butyl(dimethyl)silyl]oxyoct-3-ene-2,6-diol
CID 10707504
(2R,3R,4R,5R)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,3,4,5-tetrol
CID 11486689
tert-butyl-dimethyl-(3-methylhept-5-enoxy)silane
CID 57087962
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
1-[(E,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhex-3-en-1-ynyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrole-2-carbonitrile
CID 146166568
(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-trichlorostannylpent-3-en-2-ol
CID 10646755
3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropane-1,1-diol
CID 123722416

Frequently Asked Questions

What is the IUPAC name of (4E,6S,8E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-4,8-dien-2,10-diyn-6-ol?
The IUPAC name of (4E,6S,8E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-4,8-dien-2,10-diyn-6-ol (CID 134972072) is (4E,6S,8E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-4,8-dien-2,10-diyn-6-ol.
What is the SMILES notation for (4E,6S,8E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-4,8-dien-2,10-diyn-6-ol?
The canonical SMILES for (4E,6S,8E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-4,8-dien-2,10-diyn-6-ol is CC#C/C=C/[C@@H](O)C/C=C/C#CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4E,6S,8E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-4,8-dien-2,10-diyn-6-ol?
The InChIKey is NHXPQJSFWUZPKI-NWJAVDNSSA-N. The full InChI is InChI=1S/C18H28O2Si/c1-7-8-11-14-17(19)15-12-9-10-13-16-20-21(5,6)18(2,3)4/h9,11-12,14,17,19H,15-16H2,1-6H3/b12-9+,14-11+/t17-/m1/s1.
What are the key properties of (4E,6S,8E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-4,8-dien-2,10-diyn-6-ol?
(4E,6S,8E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-4,8-dien-2,10-diyn-6-ol has a molecular weight of 304.51 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6S,8E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-4,8-dien-2,10-diyn-6-ol is sourced from PubChem (CID 134972072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).