12-[tert-butyl(dimethyl)silyl]oxydodec-1-en-3-ol

C18H38O2Si — CID 135017806

IUPAC12-[tert-butyl(dimethyl)silyl]oxydodec-1-en-3-ol
SMILESC=CC(O)CCCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O2Si/c1-7-17(19)15-13-11-9-8-10-12-14-16-20-21(5,6)18(2,3)4/h7,17,19H,1,8-16H2,2-6H3
InChIKeyTZLOYDCBIAIRCQ-UHFFFAOYSA-N
MW314.59 g/mol
LogP5.68
Rot. Bonds12

About 12-[tert-butyl(dimethyl)silyl]oxydodec-1-en-3-ol

12-[tert-butyl(dimethyl)silyl]oxydodec-1-en-3-ol (PubChem CID 135017806) has the molecular formula C18H38O2Si and a molecular weight of 314.59 g/mol. Its IUPAC name is 12-[tert-butyl(dimethyl)silyl]oxydodec-1-en-3-ol.

Molecular Properties

Compound Name12-[tert-butyl(dimethyl)silyl]oxydodec-1-en-3-ol
PubChem CID135017806
Molecular FormulaC18H38O2Si
Molecular Weight314.59 g/mol
Exact Mass314.26
IUPAC Name12-[tert-butyl(dimethyl)silyl]oxydodec-1-en-3-ol
SMILESC=CC(O)CCCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O2Si/c1-7-17(19)15-13-11-9-8-10-12-14-16-20-21(5,6)18(2,3)4/h7,17,19H,1,8-16H2,2-6H3
InChIKeyTZLOYDCBIAIRCQ-UHFFFAOYSA-N
XLogP5.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.59
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

Analyze 12-[tert-butyl(dimethyl)silyl]oxydodec-1-en-3-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

1-Nonen-3-ol, tert-butyldimethylsilyl ether
CID 10868924
3-Tri(propan-2-yl)silyldodeca-1,2-dien-4-ol
CID 85873275
(3S)-3-[tert-butyl(dimethyl)silyl]oxynona-1,8-dien-5-ol
CID 168266624
(E,3R)-1-trimethylsilyloct-1-en-3-ol
CID 10878190
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxypentadec-1-en-5-ol
CID 134831056
(E,3S)-1-triethylsilyloct-1-en-3-ol
CID 10377101
(5R)-4-trimethylsilylundeca-2,3-dien-5-ol
CID 10514226
Ctk2E3476
CID 11246239
2-(Trimethylsilyl)tridec-1-en-3-ol
CID 12425963
(E)-1-trimethylsilyloct-1-en-3-ol
CID 12696502
(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

Frequently Asked Questions

What is the IUPAC name of 12-[tert-butyl(dimethyl)silyl]oxydodec-1-en-3-ol?
The IUPAC name of 12-[tert-butyl(dimethyl)silyl]oxydodec-1-en-3-ol (CID 135017806) is 12-[tert-butyl(dimethyl)silyl]oxydodec-1-en-3-ol.
What is the SMILES notation for 12-[tert-butyl(dimethyl)silyl]oxydodec-1-en-3-ol?
The canonical SMILES for 12-[tert-butyl(dimethyl)silyl]oxydodec-1-en-3-ol is C=CC(O)CCCCCCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 12-[tert-butyl(dimethyl)silyl]oxydodec-1-en-3-ol?
The InChIKey is TZLOYDCBIAIRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2Si/c1-7-17(19)15-13-11-9-8-10-12-14-16-20-21(5,6)18(2,3)4/h7,17,19H,1,8-16H2,2-6H3.
What are the key properties of 12-[tert-butyl(dimethyl)silyl]oxydodec-1-en-3-ol?
12-[tert-butyl(dimethyl)silyl]oxydodec-1-en-3-ol has a molecular weight of 314.59 g/mol, XLogP of 5.68, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[tert-butyl(dimethyl)silyl]oxydodec-1-en-3-ol is sourced from PubChem (CID 135017806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).