(2-chlorocyclopenta-1,4-dien-1-yl)-di(propan-2-yl)silane

C11H19ClSi — CID 173133637

IUPAC(2-chlorocyclopenta-1,4-dien-1-yl)-di(propan-2-yl)silane
SMILESCC(C)[SiH](C1=C(Cl)CC=C1)C(C)C
InChIInChI=1S/C11H19ClSi/c1-8(2)13(9(3)4)11-7-5-6-10(11)12/h5,7-9,13H,6H2,1-4H3
InChIKeyCOIHIPOUQDSFAW-UHFFFAOYSA-N
MW214.81 g/mol
LogP4.03
Rot. Bonds3

About (2-chlorocyclopenta-1,4-dien-1-yl)-di(propan-2-yl)silane

(2-chlorocyclopenta-1,4-dien-1-yl)-di(propan-2-yl)silane (PubChem CID 173133637) has the molecular formula C11H19ClSi and a molecular weight of 214.81 g/mol. Its IUPAC name is (2-chlorocyclopenta-1,4-dien-1-yl)-di(propan-2-yl)silane.

Molecular Properties

Compound Name(2-chlorocyclopenta-1,4-dien-1-yl)-di(propan-2-yl)silane
PubChem CID173133637
Molecular FormulaC11H19ClSi
Molecular Weight214.81 g/mol
Exact Mass214.09
IUPAC Name(2-chlorocyclopenta-1,4-dien-1-yl)-di(propan-2-yl)silane
SMILESCC(C)[SiH](C1=C(Cl)CC=C1)C(C)C
InChIInChI=1S/C11H19ClSi/c1-8(2)13(9(3)4)11-7-5-6-10(11)12/h5,7-9,13H,6H2,1-4H3
InChIKeyCOIHIPOUQDSFAW-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.81
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-chlorocyclopenta-1,4-dien-1-yl)-di(propan-2-yl)silane?
The IUPAC name of (2-chlorocyclopenta-1,4-dien-1-yl)-di(propan-2-yl)silane (CID 173133637) is (2-chlorocyclopenta-1,4-dien-1-yl)-di(propan-2-yl)silane.
What is the SMILES notation for (2-chlorocyclopenta-1,4-dien-1-yl)-di(propan-2-yl)silane?
The canonical SMILES for (2-chlorocyclopenta-1,4-dien-1-yl)-di(propan-2-yl)silane is CC(C)[SiH](C1=C(Cl)CC=C1)C(C)C.
What is the InChIKey of (2-chlorocyclopenta-1,4-dien-1-yl)-di(propan-2-yl)silane?
The InChIKey is COIHIPOUQDSFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClSi/c1-8(2)13(9(3)4)11-7-5-6-10(11)12/h5,7-9,13H,6H2,1-4H3.
What are the key properties of (2-chlorocyclopenta-1,4-dien-1-yl)-di(propan-2-yl)silane?
(2-chlorocyclopenta-1,4-dien-1-yl)-di(propan-2-yl)silane has a molecular weight of 214.81 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorocyclopenta-1,4-dien-1-yl)-di(propan-2-yl)silane is sourced from PubChem (CID 173133637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).