3-[chloro(2-ethoxyethoxy)methyl]pentane

C10H21ClO2 — CID 23124382

IUPAC3-[chloro(2-ethoxyethoxy)methyl]pentane
SMILESCCOCCOC(Cl)C(CC)CC
InChIInChI=1S/C10H21ClO2/c1-4-9(5-2)10(11)13-8-7-12-6-3/h9-10H,4-8H2,1-3H3
InChIKeyRONTZDLGGHMRAH-UHFFFAOYSA-N
MW208.73 g/mol
LogP3.04
Rot. Bonds8

About 3-[chloro(2-ethoxyethoxy)methyl]pentane

3-[chloro(2-ethoxyethoxy)methyl]pentane (PubChem CID 23124382) has the molecular formula C10H21ClO2 and a molecular weight of 208.73 g/mol. Its IUPAC name is 3-[chloro(2-ethoxyethoxy)methyl]pentane.

Molecular Properties

Compound Name3-[chloro(2-ethoxyethoxy)methyl]pentane
PubChem CID23124382
Molecular FormulaC10H21ClO2
Molecular Weight208.73 g/mol
Exact Mass208.12
IUPAC Name3-[chloro(2-ethoxyethoxy)methyl]pentane
SMILESCCOCCOC(Cl)C(CC)CC
InChIInChI=1S/C10H21ClO2/c1-4-9(5-2)10(11)13-8-7-12-6-3/h9-10H,4-8H2,1-3H3
InChIKeyRONTZDLGGHMRAH-UHFFFAOYSA-N
XLogP3.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.73
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[chloro(2-ethoxyethoxy)methyl]pentane?
The IUPAC name of 3-[chloro(2-ethoxyethoxy)methyl]pentane (CID 23124382) is 3-[chloro(2-ethoxyethoxy)methyl]pentane.
What is the SMILES notation for 3-[chloro(2-ethoxyethoxy)methyl]pentane?
The canonical SMILES for 3-[chloro(2-ethoxyethoxy)methyl]pentane is CCOCCOC(Cl)C(CC)CC.
What is the InChIKey of 3-[chloro(2-ethoxyethoxy)methyl]pentane?
The InChIKey is RONTZDLGGHMRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClO2/c1-4-9(5-2)10(11)13-8-7-12-6-3/h9-10H,4-8H2,1-3H3.
What are the key properties of 3-[chloro(2-ethoxyethoxy)methyl]pentane?
3-[chloro(2-ethoxyethoxy)methyl]pentane has a molecular weight of 208.73 g/mol, XLogP of 3.04, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro(2-ethoxyethoxy)methyl]pentane is sourced from PubChem (CID 23124382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).