1-chloro-2-propan-2-ylcyclopentane

C8H15Cl — CID 21490604

IUPAC1-chloro-2-propan-2-ylcyclopentane
SMILESCC(C)C1CCCC1Cl
InChIInChI=1S/C8H15Cl/c1-6(2)7-4-3-5-8(7)9/h6-8H,3-5H2,1-2H3
InChIKeyMUWQSQUJXHTTIT-UHFFFAOYSA-N
MW146.66 g/mol
LogP3.05
Rot. Bonds1

About 1-chloro-2-propan-2-ylcyclopentane

1-chloro-2-propan-2-ylcyclopentane (PubChem CID 21490604) has the molecular formula C8H15Cl and a molecular weight of 146.66 g/mol. Its IUPAC name is 1-chloro-2-propan-2-ylcyclopentane.

Molecular Properties

Compound Name1-chloro-2-propan-2-ylcyclopentane
PubChem CID21490604
Molecular FormulaC8H15Cl
Molecular Weight146.66 g/mol
Exact Mass146.09
IUPAC Name1-chloro-2-propan-2-ylcyclopentane
SMILESCC(C)C1CCCC1Cl
InChIInChI=1S/C8H15Cl/c1-6(2)7-4-3-5-8(7)9/h6-8H,3-5H2,1-2H3
InChIKeyMUWQSQUJXHTTIT-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.66
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-propan-2-ylcyclopentane?
The IUPAC name of 1-chloro-2-propan-2-ylcyclopentane (CID 21490604) is 1-chloro-2-propan-2-ylcyclopentane.
What is the SMILES notation for 1-chloro-2-propan-2-ylcyclopentane?
The canonical SMILES for 1-chloro-2-propan-2-ylcyclopentane is CC(C)C1CCCC1Cl.
What is the InChIKey of 1-chloro-2-propan-2-ylcyclopentane?
The InChIKey is MUWQSQUJXHTTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Cl/c1-6(2)7-4-3-5-8(7)9/h6-8H,3-5H2,1-2H3.
What are the key properties of 1-chloro-2-propan-2-ylcyclopentane?
1-chloro-2-propan-2-ylcyclopentane has a molecular weight of 146.66 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-propan-2-ylcyclopentane is sourced from PubChem (CID 21490604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).