dodecyl-dimethyl-pent-2-en-4-ynoxysilane

C19H36OSi — CID 531345

IUPACdodecyl-dimethyl-pent-2-en-4-ynoxysilane
SMILESC#CC=CCO[Si](C)(C)CCCCCCCCCCCC
InChIInChI=1S/C19H36OSi/c1-5-7-9-10-11-12-13-14-15-17-19-21(3,4)20-18-16-8-6-2/h2,8,16H,5,7,9-15,17-19H2,1,3-4H3
InChIKeyPXSZWQVTPKSFOC-UHFFFAOYSA-N
MW308.58 g/mol
LogP6.32
Rot. Bonds14

About dodecyl-dimethyl-pent-2-en-4-ynoxysilane

dodecyl-dimethyl-pent-2-en-4-ynoxysilane (PubChem CID 531345) has the molecular formula C19H36OSi and a molecular weight of 308.58 g/mol. Its IUPAC name is dodecyl-dimethyl-pent-2-en-4-ynoxysilane.

Molecular Properties

Compound Namedodecyl-dimethyl-pent-2-en-4-ynoxysilane
PubChem CID531345
Molecular FormulaC19H36OSi
Molecular Weight308.58 g/mol
Exact Mass308.25
IUPAC Namedodecyl-dimethyl-pent-2-en-4-ynoxysilane
SMILESC#CC=CCO[Si](C)(C)CCCCCCCCCCCC
InChIInChI=1S/C19H36OSi/c1-5-7-9-10-11-12-13-14-15-17-19-21(3,4)20-18-16-8-6-2/h2,8,16H,5,7,9-15,17-19H2,1,3-4H3
InChIKeyPXSZWQVTPKSFOC-UHFFFAOYSA-N
XLogP6.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.58
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze dodecyl-dimethyl-pent-2-en-4-ynoxysilane 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-Triisobutylsilyloxypent-2-en-4-yne
CID 531260
1-Dimethylisopropylsilyloxypent-2-en-4-yne
CID 531286
1-Tripropylsilyloxypent-2-en-4-yne
CID 531304
1-Trihexylsilyloxypent-2-en-4-yne
CID 531315
1-Tributylsilyloxypent-2-en-4-yne
CID 531334
1-Dimethyldodecylsilyloxy-3-methylbut-2-ene
CID 531344
1-Diisopropylsilyloxypent-2-en-4-yne
CID 6327729
Dimethyl-octadecyl-prop-2-enoxysilane
CID 86033476
Didodecyl(prop-2-enoxy)silane
CID 150773893
But-2-enoxy-dimethoxy-tetradecylsilane
CID 162729060
But-2-enoxy-dimethoxy-octadecylsilane
CID 162729061
But-2-enoxy-dodecyl-dimethoxysilane
CID 162729063

Frequently Asked Questions

What is the IUPAC name of dodecyl-dimethyl-pent-2-en-4-ynoxysilane?
The IUPAC name of dodecyl-dimethyl-pent-2-en-4-ynoxysilane (CID 531345) is dodecyl-dimethyl-pent-2-en-4-ynoxysilane.
What is the SMILES notation for dodecyl-dimethyl-pent-2-en-4-ynoxysilane?
The canonical SMILES for dodecyl-dimethyl-pent-2-en-4-ynoxysilane is C#CC=CCO[Si](C)(C)CCCCCCCCCCCC.
What is the InChIKey of dodecyl-dimethyl-pent-2-en-4-ynoxysilane?
The InChIKey is PXSZWQVTPKSFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36OSi/c1-5-7-9-10-11-12-13-14-15-17-19-21(3,4)20-18-16-8-6-2/h2,8,16H,5,7,9-15,17-19H2,1,3-4H3.
What are the key properties of dodecyl-dimethyl-pent-2-en-4-ynoxysilane?
dodecyl-dimethyl-pent-2-en-4-ynoxysilane has a molecular weight of 308.58 g/mol, XLogP of 6.32, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl-dimethyl-pent-2-en-4-ynoxysilane is sourced from PubChem (CID 531345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).