4-chlorobutyl-dimethyl-prop-1-ynylsilane

C9H17ClSi — CID 12022388

IUPAC4-chlorobutyl-dimethyl-prop-1-ynylsilane
SMILESCC#C[Si](C)(C)CCCCCl
InChIInChI=1S/C9H17ClSi/c1-4-8-11(2,3)9-6-5-7-10/h5-7,9H2,1-3H3
InChIKeyPDIGYSSGACSAMX-UHFFFAOYSA-N
MW188.77 g/mol
LogP3.28
Rot. Bonds4

About 4-chlorobutyl-dimethyl-prop-1-ynylsilane

4-chlorobutyl-dimethyl-prop-1-ynylsilane (PubChem CID 12022388) has the molecular formula C9H17ClSi and a molecular weight of 188.77 g/mol. Its IUPAC name is 4-chlorobutyl-dimethyl-prop-1-ynylsilane.

Molecular Properties

Compound Name4-chlorobutyl-dimethyl-prop-1-ynylsilane
PubChem CID12022388
Molecular FormulaC9H17ClSi
Molecular Weight188.77 g/mol
Exact Mass188.08
IUPAC Name4-chlorobutyl-dimethyl-prop-1-ynylsilane
SMILESCC#C[Si](C)(C)CCCCCl
InChIInChI=1S/C9H17ClSi/c1-4-8-11(2,3)9-6-5-7-10/h5-7,9H2,1-3H3
InChIKeyPDIGYSSGACSAMX-UHFFFAOYSA-N
XLogP3.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.77
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Chloro-5-(trimethylsilyl)-4-pentyne
CID 2757942
(3-Chloro-3-fluoroprop-1-ynyl)-tri(propan-2-yl)silane
CID 10610604
(6-Chlorohex-1-yn-1-yl)trimethylsilane
CID 13839479
6-Chlorohex-1-ynyl(triethyl)silane
CID 102112680
(3-Chloropropyl)(triethyl)silane
CID 12566784
Chlorobutyltrimethylsilane
CID 14715061
8-Chlorooct-1-ynyl(trimethyl)silane
CID 14451681
(5-Chloropent-1-yn-1-yl)(triethyl)silane
CID 2757930
(3-Chloropropyl)diethylmethylsilane
CID 12845663
(3-Chloroprop-1-yn-1-yl)(triethyl)silane
CID 13162530
3-Chloroprop-1-ynyl-tri(propan-2-yl)silane
CID 86187348
(6-Chloro-1-triethylsilylhex-2-ynyl)-trimethylsilane
CID 166439280

Frequently Asked Questions

What is the IUPAC name of 4-chlorobutyl-dimethyl-prop-1-ynylsilane?
The IUPAC name of 4-chlorobutyl-dimethyl-prop-1-ynylsilane (CID 12022388) is 4-chlorobutyl-dimethyl-prop-1-ynylsilane.
What is the SMILES notation for 4-chlorobutyl-dimethyl-prop-1-ynylsilane?
The canonical SMILES for 4-chlorobutyl-dimethyl-prop-1-ynylsilane is CC#C[Si](C)(C)CCCCCl.
What is the InChIKey of 4-chlorobutyl-dimethyl-prop-1-ynylsilane?
The InChIKey is PDIGYSSGACSAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClSi/c1-4-8-11(2,3)9-6-5-7-10/h5-7,9H2,1-3H3.
What are the key properties of 4-chlorobutyl-dimethyl-prop-1-ynylsilane?
4-chlorobutyl-dimethyl-prop-1-ynylsilane has a molecular weight of 188.77 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobutyl-dimethyl-prop-1-ynylsilane is sourced from PubChem (CID 12022388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).