1-chloro-1-pentan-2-ylsilinane

C10H21ClSi — CID 57057772

IUPAC1-chloro-1-pentan-2-ylsilinane
SMILESCCCC(C)[Si]1(Cl)CCCCC1
InChIInChI=1S/C10H21ClSi/c1-3-7-10(2)12(11)8-5-4-6-9-12/h10H,3-9H2,1-2H3
InChIKeyQFLJYEVHRUENFF-UHFFFAOYSA-N
MW204.82 g/mol
LogP4.54
Rot. Bonds3

About 1-chloro-1-pentan-2-ylsilinane

1-chloro-1-pentan-2-ylsilinane (PubChem CID 57057772) has the molecular formula C10H21ClSi and a molecular weight of 204.82 g/mol. Its IUPAC name is 1-chloro-1-pentan-2-ylsilinane.

Molecular Properties

Compound Name1-chloro-1-pentan-2-ylsilinane
PubChem CID57057772
Molecular FormulaC10H21ClSi
Molecular Weight204.82 g/mol
Exact Mass204.11
IUPAC Name1-chloro-1-pentan-2-ylsilinane
SMILESCCCC(C)[Si]1(Cl)CCCCC1
InChIInChI=1S/C10H21ClSi/c1-3-7-10(2)12(11)8-5-4-6-9-12/h10H,3-9H2,1-2H3
InChIKeyQFLJYEVHRUENFF-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.82
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-1-(1-chloroethyl)silolane
CID 19382014
cyclohexane;pentan-2-ol
CID 67677243
2-chloro-2,3-dimethylhexane;cyclohexane
CID 175373008
butane;cyclopentane;cyclopropane;2-methylpropane;propane
CID 173325576
1,2-di(pentan-2-yl)cyclopropane
CID 123763474
1-chloro-1-methylsilocane
CID 69285859
butane;cyclobutane
CID 162002820
1-methyl-1-tetradecan-2-yloxysilinane
CID 536210
1-[2-(2,3,3-trifluoropropyl)oxasilinan-2-yl]butan-1-ol
CID 175482937
4-chloro-3-methylheptane
CID 54215050
2-methylpentane
CID 7892
4-methylheptane
CID 91413347

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-pentan-2-ylsilinane?
The IUPAC name of 1-chloro-1-pentan-2-ylsilinane (CID 57057772) is 1-chloro-1-pentan-2-ylsilinane.
What is the SMILES notation for 1-chloro-1-pentan-2-ylsilinane?
The canonical SMILES for 1-chloro-1-pentan-2-ylsilinane is CCCC(C)[Si]1(Cl)CCCCC1.
What is the InChIKey of 1-chloro-1-pentan-2-ylsilinane?
The InChIKey is QFLJYEVHRUENFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClSi/c1-3-7-10(2)12(11)8-5-4-6-9-12/h10H,3-9H2,1-2H3.
What are the key properties of 1-chloro-1-pentan-2-ylsilinane?
1-chloro-1-pentan-2-ylsilinane has a molecular weight of 204.82 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-pentan-2-ylsilinane is sourced from PubChem (CID 57057772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).