3-chloro-2-propan-2-yloxolane

C7H13ClO — CID 13494565

IUPAC3-chloro-2-propan-2-yloxolane
SMILESCC(C)C1OCCC1Cl
InChIInChI=1S/C7H13ClO/c1-5(2)7-6(8)3-4-9-7/h5-7H,3-4H2,1-2H3
InChIKeyGESYKMSZCBSBHJ-UHFFFAOYSA-N
MW148.63 g/mol
LogP2.04
Rot. Bonds1

About 3-chloro-2-propan-2-yloxolane

3-chloro-2-propan-2-yloxolane (PubChem CID 13494565) has the molecular formula C7H13ClO and a molecular weight of 148.63 g/mol. Its IUPAC name is 3-chloro-2-propan-2-yloxolane.

Molecular Properties

Compound Name3-chloro-2-propan-2-yloxolane
PubChem CID13494565
Molecular FormulaC7H13ClO
Molecular Weight148.63 g/mol
Exact Mass148.07
IUPAC Name3-chloro-2-propan-2-yloxolane
SMILESCC(C)C1OCCC1Cl
InChIInChI=1S/C7H13ClO/c1-5(2)7-6(8)3-4-9-7/h5-7H,3-4H2,1-2H3
InChIKeyGESYKMSZCBSBHJ-UHFFFAOYSA-N
XLogP2.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.63
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-chloro-2-propan-2-yloxolane?
The IUPAC name of 3-chloro-2-propan-2-yloxolane (CID 13494565) is 3-chloro-2-propan-2-yloxolane.
What is the SMILES notation for 3-chloro-2-propan-2-yloxolane?
The canonical SMILES for 3-chloro-2-propan-2-yloxolane is CC(C)C1OCCC1Cl.
What is the InChIKey of 3-chloro-2-propan-2-yloxolane?
The InChIKey is GESYKMSZCBSBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO/c1-5(2)7-6(8)3-4-9-7/h5-7H,3-4H2,1-2H3.
What are the key properties of 3-chloro-2-propan-2-yloxolane?
3-chloro-2-propan-2-yloxolane has a molecular weight of 148.63 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-propan-2-yloxolane is sourced from PubChem (CID 13494565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).