3-chloroprop-1-ynyl-tri(propan-2-yl)silane

C12H23ClSi — CID 86187348

IUPAC3-chloroprop-1-ynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CCCl)(C(C)C)C(C)C
InChIInChI=1S/C12H23ClSi/c1-10(2)14(11(3)4,12(5)6)9-7-8-13/h10-12H,8H2,1-6H3
InChIKeyDIQGGFZFAVFRLX-UHFFFAOYSA-N
MW230.85 g/mol
LogP4.45
Rot. Bonds3

About 3-chloroprop-1-ynyl-tri(propan-2-yl)silane

3-chloroprop-1-ynyl-tri(propan-2-yl)silane (PubChem CID 86187348) has the molecular formula C12H23ClSi and a molecular weight of 230.85 g/mol. Its IUPAC name is 3-chloroprop-1-ynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name3-chloroprop-1-ynyl-tri(propan-2-yl)silane
PubChem CID86187348
Molecular FormulaC12H23ClSi
Molecular Weight230.85 g/mol
Exact Mass230.13
IUPAC Name3-chloroprop-1-ynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CCCl)(C(C)C)C(C)C
InChIInChI=1S/C12H23ClSi/c1-10(2)14(11(3)4,12(5)6)9-7-8-13/h10-12H,8H2,1-6H3
InChIKeyDIQGGFZFAVFRLX-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.85
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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-triethylsilyl-1-pentyne
CID 16217488
(3-Chloro-3-fluoroprop-1-ynyl)-tri(propan-2-yl)silane
CID 10610604
(6-Chlorohex-1-yn-1-yl)trimethylsilane
CID 13839479
1-Chloroethyl-triethyl-silane
CID 305910
6-Chlorohex-1-ynyl(triethyl)silane
CID 102112680
Silane, (3-chloro-1-propynyl)trimethyl-
CID 11073564
(3-Chloropropyl)(triethyl)silane
CID 12566784
2-Chloroethynyl-tri(propan-2-yl)silane
CID 86179216
(2-Chloro-ethyl)-triethyl-silane
CID 13652085
(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

Frequently Asked Questions

What is the IUPAC name of 3-chloroprop-1-ynyl-tri(propan-2-yl)silane?
The IUPAC name of 3-chloroprop-1-ynyl-tri(propan-2-yl)silane (CID 86187348) is 3-chloroprop-1-ynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 3-chloroprop-1-ynyl-tri(propan-2-yl)silane?
The canonical SMILES for 3-chloroprop-1-ynyl-tri(propan-2-yl)silane is CC(C)[Si](C#CCCl)(C(C)C)C(C)C.
What is the InChIKey of 3-chloroprop-1-ynyl-tri(propan-2-yl)silane?
The InChIKey is DIQGGFZFAVFRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClSi/c1-10(2)14(11(3)4,12(5)6)9-7-8-13/h10-12H,8H2,1-6H3.
What are the key properties of 3-chloroprop-1-ynyl-tri(propan-2-yl)silane?
3-chloroprop-1-ynyl-tri(propan-2-yl)silane has a molecular weight of 230.85 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloroprop-1-ynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 86187348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).