2-chloro-1,1-dimethyl-3-propan-2-ylcyclopropane

C8H15Cl — CID 121273919

IUPAC2-chloro-1,1-dimethyl-3-propan-2-ylcyclopropane
SMILESCC(C)C1C(Cl)C1(C)C
InChIInChI=1S/C8H15Cl/c1-5(2)6-7(9)8(6,3)4/h5-7H,1-4H3
InChIKeyYUBVESQQEYOCSI-UHFFFAOYSA-N
MW146.66 g/mol
LogP2.91
Rot. Bonds1

About 2-chloro-1,1-dimethyl-3-propan-2-ylcyclopropane

2-chloro-1,1-dimethyl-3-propan-2-ylcyclopropane (PubChem CID 121273919) has the molecular formula C8H15Cl and a molecular weight of 146.66 g/mol. Its IUPAC name is 2-chloro-1,1-dimethyl-3-propan-2-ylcyclopropane.

Molecular Properties

Compound Name2-chloro-1,1-dimethyl-3-propan-2-ylcyclopropane
PubChem CID121273919
Molecular FormulaC8H15Cl
Molecular Weight146.66 g/mol
Exact Mass146.09
IUPAC Name2-chloro-1,1-dimethyl-3-propan-2-ylcyclopropane
SMILESCC(C)C1C(Cl)C1(C)C
InChIInChI=1S/C8H15Cl/c1-5(2)6-7(9)8(6,3)4/h5-7H,1-4H3
InChIKeyYUBVESQQEYOCSI-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
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 2-chloro-1,1-dimethyl-3-propan-2-ylcyclopropane?
The IUPAC name of 2-chloro-1,1-dimethyl-3-propan-2-ylcyclopropane (CID 121273919) is 2-chloro-1,1-dimethyl-3-propan-2-ylcyclopropane.
What is the SMILES notation for 2-chloro-1,1-dimethyl-3-propan-2-ylcyclopropane?
The canonical SMILES for 2-chloro-1,1-dimethyl-3-propan-2-ylcyclopropane is CC(C)C1C(Cl)C1(C)C.
What is the InChIKey of 2-chloro-1,1-dimethyl-3-propan-2-ylcyclopropane?
The InChIKey is YUBVESQQEYOCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Cl/c1-5(2)6-7(9)8(6,3)4/h5-7H,1-4H3.
What are the key properties of 2-chloro-1,1-dimethyl-3-propan-2-ylcyclopropane?
2-chloro-1,1-dimethyl-3-propan-2-ylcyclopropane has a molecular weight of 146.66 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,1-dimethyl-3-propan-2-ylcyclopropane is sourced from PubChem (CID 121273919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).