2-chloro-1-methoxy-1,3-di(propan-2-yloxy)propane

C10H21ClO3 — CID 88633039

IUPAC2-chloro-1-methoxy-1,3-di(propan-2-yloxy)propane
SMILESCOC(OC(C)C)C(Cl)COC(C)C
InChIInChI=1S/C10H21ClO3/c1-7(2)13-6-9(11)10(12-5)14-8(3)4/h7-10H,6H2,1-5H3
InChIKeyPEKFDBUGMQLMOI-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.42
Rot. Bonds7

About 2-chloro-1-methoxy-1,3-di(propan-2-yloxy)propane

2-chloro-1-methoxy-1,3-di(propan-2-yloxy)propane (PubChem CID 88633039) has the molecular formula C10H21ClO3 and a molecular weight of 224.73 g/mol. Its IUPAC name is 2-chloro-1-methoxy-1,3-di(propan-2-yloxy)propane.

Molecular Properties

Compound Name2-chloro-1-methoxy-1,3-di(propan-2-yloxy)propane
PubChem CID88633039
Molecular FormulaC10H21ClO3
Molecular Weight224.73 g/mol
Exact Mass224.12
IUPAC Name2-chloro-1-methoxy-1,3-di(propan-2-yloxy)propane
SMILESCOC(OC(C)C)C(Cl)COC(C)C
InChIInChI=1S/C10H21ClO3/c1-7(2)13-6-9(11)10(12-5)14-8(3)4/h7-10H,6H2,1-5H3
InChIKeyPEKFDBUGMQLMOI-UHFFFAOYSA-N
XLogP2.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-methoxy-1,3-di(propan-2-yloxy)propane?
The IUPAC name of 2-chloro-1-methoxy-1,3-di(propan-2-yloxy)propane (CID 88633039) is 2-chloro-1-methoxy-1,3-di(propan-2-yloxy)propane.
What is the SMILES notation for 2-chloro-1-methoxy-1,3-di(propan-2-yloxy)propane?
The canonical SMILES for 2-chloro-1-methoxy-1,3-di(propan-2-yloxy)propane is COC(OC(C)C)C(Cl)COC(C)C.
What is the InChIKey of 2-chloro-1-methoxy-1,3-di(propan-2-yloxy)propane?
The InChIKey is PEKFDBUGMQLMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClO3/c1-7(2)13-6-9(11)10(12-5)14-8(3)4/h7-10H,6H2,1-5H3.
What are the key properties of 2-chloro-1-methoxy-1,3-di(propan-2-yloxy)propane?
2-chloro-1-methoxy-1,3-di(propan-2-yloxy)propane has a molecular weight of 224.73 g/mol, XLogP of 2.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-methoxy-1,3-di(propan-2-yloxy)propane is sourced from PubChem (CID 88633039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).