1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypent-4-en-2-ol

C13H28O2Si — CID 10955810

IUPAC1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypent-4-en-2-ol
SMILESC=CCC(O)CO[Si](C)(C)C(C)(C)C(C)C
InChIInChI=1S/C13H28O2Si/c1-8-9-12(14)10-15-16(6,7)13(4,5)11(2)3/h8,11-12,14H,1,9-10H2,2-7H3
InChIKeyIRYFCLNPZCRPCL-UHFFFAOYSA-N
MW244.45 g/mol
LogP3.58
Rot. Bonds7

About 1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypent-4-en-2-ol

1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypent-4-en-2-ol (PubChem CID 10955810) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is 1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypent-4-en-2-ol.

Molecular Properties

Compound Name1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypent-4-en-2-ol
PubChem CID10955810
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypent-4-en-2-ol
SMILESC=CCC(O)CO[Si](C)(C)C(C)(C)C(C)C
InChIInChI=1S/C13H28O2Si/c1-8-9-12(14)10-15-16(6,7)13(4,5)11(2)3/h8,11-12,14H,1,9-10H2,2-7H3
InChIKeyIRYFCLNPZCRPCL-UHFFFAOYSA-N
XLogP3.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 53.58
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'}

Analyze 1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypent-4-en-2-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

(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 11148647
(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-en-3-ol
CID 11276618
(4R,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-ene-4,6-diol
CID 10935112
(4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hepta-1,6-dien-4-ol
CID 135040202
2,3-dimethylbutan-2-yl-ethenoxy-dimethylsilane
CID 88947769
(2R)-1-propan-2-yloxypent-4-en-2-ol
CID 130127578
methyl (2S,5S)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methyl-4-methylidenehexanoate
CID 11012957
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
CID 86606837
(2S,3Z,6S)-1-[tert-butyl(dimethyl)silyl]oxyocta-3,7-diene-2,6-diol
CID 10540140
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enoxy]-dimethylsilane
CID 101029883
6-methoxy-6-methylhept-1-en-4-ol
CID 103027433

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypent-4-en-2-ol?
The IUPAC name of 1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypent-4-en-2-ol (CID 10955810) is 1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypent-4-en-2-ol.
What is the SMILES notation for 1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypent-4-en-2-ol?
The canonical SMILES for 1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypent-4-en-2-ol is C=CCC(O)CO[Si](C)(C)C(C)(C)C(C)C.
What is the InChIKey of 1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypent-4-en-2-ol?
The InChIKey is IRYFCLNPZCRPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-8-9-12(14)10-15-16(6,7)13(4,5)11(2)3/h8,11-12,14H,1,9-10H2,2-7H3.
What are the key properties of 1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypent-4-en-2-ol?
1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypent-4-en-2-ol has a molecular weight of 244.45 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypent-4-en-2-ol is sourced from PubChem (CID 10955810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).