1-chloro-5-(2-methoxyethoxy)pentane

C8H17ClO2 — CID 43348436

IUPAC1-chloro-5-(2-methoxyethoxy)pentane
SMILESCOCCOCCCCCCl
InChIInChI=1S/C8H17ClO2/c1-10-7-8-11-6-4-2-3-5-9/h2-8H2,1H3
InChIKeyBFBHBTQBIYKYHJ-UHFFFAOYSA-N
MW180.67 g/mol
LogP2.06
Rot. Bonds8

About 1-chloro-5-(2-methoxyethoxy)pentane

1-chloro-5-(2-methoxyethoxy)pentane (PubChem CID 43348436) has the molecular formula C8H17ClO2 and a molecular weight of 180.67 g/mol. Its IUPAC name is 1-chloro-5-(2-methoxyethoxy)pentane.

Molecular Properties

Compound Name1-chloro-5-(2-methoxyethoxy)pentane
PubChem CID43348436
Molecular FormulaC8H17ClO2
Molecular Weight180.67 g/mol
Exact Mass180.09
IUPAC Name1-chloro-5-(2-methoxyethoxy)pentane
SMILESCOCCOCCCCCCl
InChIInChI=1S/C8H17ClO2/c1-10-7-8-11-6-4-2-3-5-9/h2-8H2,1H3
InChIKeyBFBHBTQBIYKYHJ-UHFFFAOYSA-N
XLogP2.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.67
LogP ≤ 52.06
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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Related Compounds

1,8-bis(2-methoxyethoxy)octane
CID 143118909
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
1-chloro-6-[2-(2-chloroethoxy)ethoxy]hexane
CID 176729124
1-chloro-6-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]hexane
CID 89239780
6-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]hexan-1-amine
CID 114008238
1-methoxy-6-(6-methoxyhexoxy)hexane
CID 154493017
methyl 6-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]hexanoate
CID 164593219
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 175220502
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]heptane
CID 44593867
1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 151811497
1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tetradecane
CID 102000806
1-(5-chloropentoxy)octane
CID 43348463

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-(2-methoxyethoxy)pentane?
The IUPAC name of 1-chloro-5-(2-methoxyethoxy)pentane (CID 43348436) is 1-chloro-5-(2-methoxyethoxy)pentane.
What is the SMILES notation for 1-chloro-5-(2-methoxyethoxy)pentane?
The canonical SMILES for 1-chloro-5-(2-methoxyethoxy)pentane is COCCOCCCCCCl.
What is the InChIKey of 1-chloro-5-(2-methoxyethoxy)pentane?
The InChIKey is BFBHBTQBIYKYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClO2/c1-10-7-8-11-6-4-2-3-5-9/h2-8H2,1H3.
What are the key properties of 1-chloro-5-(2-methoxyethoxy)pentane?
1-chloro-5-(2-methoxyethoxy)pentane has a molecular weight of 180.67 g/mol, XLogP of 2.06, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-(2-methoxyethoxy)pentane is sourced from PubChem (CID 43348436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).