2-[chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)acetonitrile

Name: 2-[chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)acetonitrile — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₆ClNOSi — CID 159841476

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-[chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)acetonitrile

SMILESCC1=CC=C(C(C#N)O[Si](C)(C)CCl)C1

InChIInChI=1S/C11H16ClNOSi/c1-9-4-5-10(6-9)11(7-13)14-15(2,3)8-12/h4-5,11H,6,8H2,1-3H3

InChIKeyDSPIKDJRYGGUGZ-UHFFFAOYSA-N

MW241.79 g/mol

LogP3.15

Rot. Bonds4

About 2-[chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)acetonitrile

2-[chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)acetonitrile (PubChem CID 159841476) has the molecular formula C₁₁H₁₆ClNOSi and a molecular weight of 241.79 g/mol. Its IUPAC name is 2-[chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)acetonitrile.

Molecular Properties

Compound Name	2-[chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)acetonitrile
PubChem CID	159841476
Molecular Formula	C₁₁H₁₆ClNOSi
Molecular Weight	241.79 g/mol
Exact Mass	241.07
IUPAC Name	2-[chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)acetonitrile
SMILES	CC1=CC=C(C(C#N)O[Si](C)(C)CCl)C1
InChI	InChI=1S/C11H16ClNOSi/c1-9-4-5-10(6-9)11(7-13)14-15(2,3)8-12/h4-5,11H,6,8H2,1-3H3
InChIKey	DSPIKDJRYGGUGZ-UHFFFAOYSA-N
XLogP	3.15
TPSA	33.02 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	4
Heavy Atoms	15
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	241.79
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)acetonitrile?

The IUPAC name of 2-[chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)acetonitrile (CID 159841476) is 2-[chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)acetonitrile.

What is the SMILES notation for 2-[chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)acetonitrile?

The canonical SMILES for 2-[chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)acetonitrile is CC1=CC=C(C(C#N)O[Si](C)(C)CCl)C1.

What is the InChIKey of 2-[chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)acetonitrile?

The InChIKey is DSPIKDJRYGGUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNOSi/c1-9-4-5-10(6-9)11(7-13)14-15(2,3)8-12/h4-5,11H,6,8H2,1-3H3.

What are the key properties of 2-[chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)acetonitrile?

2-[chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)acetonitrile has a molecular weight of 241.79 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)acetonitrile is sourced from PubChem (CID 159841476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 159841476 — identifiers, structure, computed properties (public domain)

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