4-(3-dimethylsilylpent-4-enoxy)benzenethiol

C13H20OSSi — CID 154105807

IUPAC4-(3-dimethylsilylpent-4-enoxy)benzenethiol
SMILESC=CC(CCOc1ccc(S)cc1)[SiH](C)C
InChIInChI=1S/C13H20OSSi/c1-4-13(16(2)3)9-10-14-11-5-7-12(15)8-6-11/h4-8,13,15-16H,1,9-10H2,2-3H3
InChIKeyMKSOBKSDQDOWEP-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.79
Rot. Bonds6

About 4-(3-dimethylsilylpent-4-enoxy)benzenethiol

4-(3-dimethylsilylpent-4-enoxy)benzenethiol (PubChem CID 154105807) has the molecular formula C13H20OSSi and a molecular weight of 252.45 g/mol. Its IUPAC name is 4-(3-dimethylsilylpent-4-enoxy)benzenethiol.

Molecular Properties

Compound Name4-(3-dimethylsilylpent-4-enoxy)benzenethiol
PubChem CID154105807
Molecular FormulaC13H20OSSi
Molecular Weight252.45 g/mol
Exact Mass252.10
IUPAC Name4-(3-dimethylsilylpent-4-enoxy)benzenethiol
SMILESC=CC(CCOc1ccc(S)cc1)[SiH](C)C
InChIInChI=1S/C13H20OSSi/c1-4-13(16(2)3)9-10-14-11-5-7-12(15)8-6-11/h4-8,13,15-16H,1,9-10H2,2-3H3
InChIKeyMKSOBKSDQDOWEP-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.79
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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-sulfanylphenoxy)ethoxy]benzenethiol
CID 23290224
sodium;hydride;4-propoxybenzenethiol
CID 175496916
4-penta-1,4-dien-3-yloxybenzenethiol
CID 163873156
CID 57452703
CID 57452703
CID 57451037
CID 57451037
4-(4-hexoxyphenyl)benzenethiol
CID 70387562
4-(4-heptoxyphenyl)benzenethiol
CID 70387971
4-prop-2-ynoxybenzenethiol
CID 155088552
triethyl-[5-(4-sulfanylphenoxy)pentyl]azanium
CID 141271617
1-but-3-en-2-yl-4-(2-methoxyethoxy)benzene
CID 57090148
methyl N-[4-(3,3-dimethoxypropoxy)phenyl]carbamate
CID 58941158
trimethyl-[3-[4-(3-trimethylphosphaniumylpropoxy)phenoxy]propyl]phosphanium
CID 132502739

Frequently Asked Questions

What is the IUPAC name of 4-(3-dimethylsilylpent-4-enoxy)benzenethiol?
The IUPAC name of 4-(3-dimethylsilylpent-4-enoxy)benzenethiol (CID 154105807) is 4-(3-dimethylsilylpent-4-enoxy)benzenethiol.
What is the SMILES notation for 4-(3-dimethylsilylpent-4-enoxy)benzenethiol?
The canonical SMILES for 4-(3-dimethylsilylpent-4-enoxy)benzenethiol is C=CC(CCOc1ccc(S)cc1)[SiH](C)C.
What is the InChIKey of 4-(3-dimethylsilylpent-4-enoxy)benzenethiol?
The InChIKey is MKSOBKSDQDOWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20OSSi/c1-4-13(16(2)3)9-10-14-11-5-7-12(15)8-6-11/h4-8,13,15-16H,1,9-10H2,2-3H3.
What are the key properties of 4-(3-dimethylsilylpent-4-enoxy)benzenethiol?
4-(3-dimethylsilylpent-4-enoxy)benzenethiol has a molecular weight of 252.45 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-dimethylsilylpent-4-enoxy)benzenethiol is sourced from PubChem (CID 154105807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).