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

C8H17ClO2 — CID 175041479

IUPAC1-chloro-1-(2-methoxyethoxy)pentane
SMILESCCCCC(Cl)OCCOC
InChIInChI=1S/C8H17ClO2/c1-3-4-5-8(9)11-7-6-10-2/h8H,3-7H2,1-2H3
InChIKeyYXXSUNAZIWUFTR-UHFFFAOYSA-N
MW180.67 g/mol
LogP2.40
Rot. Bonds7

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

1-chloro-1-(2-methoxyethoxy)pentane (PubChem CID 175041479) has the molecular formula C8H17ClO2 and a molecular weight of 180.67 g/mol. Its IUPAC name is 1-chloro-1-(2-methoxyethoxy)pentane.

Molecular Properties

Compound Name1-chloro-1-(2-methoxyethoxy)pentane
PubChem CID175041479
Molecular FormulaC8H17ClO2
Molecular Weight180.67 g/mol
Exact Mass180.09
IUPAC Name1-chloro-1-(2-methoxyethoxy)pentane
SMILESCCCCC(Cl)OCCOC
InChIInChI=1S/C8H17ClO2/c1-3-4-5-8(9)11-7-6-10-2/h8H,3-7H2,1-2H3
InChIKeyYXXSUNAZIWUFTR-UHFFFAOYSA-N
XLogP2.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.67
LogP ≤ 52.40
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-chloro-1-ethoxypentane
CID 19848155
(3S)-3-chloro-1-methoxyheptane
CID 129365628
2-chloro-1-methoxyhexane
CID 13146998
1-(1-chloropropoxy)icosane
CID 139652082
2-(2-methoxyethoxy)octadecane
CID 89276167
tributyl(2-methoxyethyl)phosphanium
CID 25047739
1-(2-methoxyethoxy)pentylbenzene
CID 10977044
5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]nonane
CID 150891032
2-[2-(2-methoxyethoxy)ethoxy]hexanoate
CID 18318667
1-(1-chloro-2-dichlorophosphorylethoxy)butane
CID 12540864
1-chloro-1-phosphorosooxypentane
CID 174343094
4-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-1-[2-(2-propoxyethoxy)ethoxy]octane
CID 158158033

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-(2-methoxyethoxy)pentane?
The IUPAC name of 1-chloro-1-(2-methoxyethoxy)pentane (CID 175041479) is 1-chloro-1-(2-methoxyethoxy)pentane.
What is the SMILES notation for 1-chloro-1-(2-methoxyethoxy)pentane?
The canonical SMILES for 1-chloro-1-(2-methoxyethoxy)pentane is CCCCC(Cl)OCCOC.
What is the InChIKey of 1-chloro-1-(2-methoxyethoxy)pentane?
The InChIKey is YXXSUNAZIWUFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClO2/c1-3-4-5-8(9)11-7-6-10-2/h8H,3-7H2,1-2H3.
What are the key properties of 1-chloro-1-(2-methoxyethoxy)pentane?
1-chloro-1-(2-methoxyethoxy)pentane has a molecular weight of 180.67 g/mol, XLogP of 2.40, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-(2-methoxyethoxy)pentane is sourced from PubChem (CID 175041479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).