1-(1,3-dichloropropan-2-yloxymethoxy)pentane

C9H18Cl2O2 — CID 134986505

IUPAC1-(1,3-dichloropropan-2-yloxymethoxy)pentane
SMILESCCCCCOCOC(CCl)CCl
InChIInChI=1S/C9H18Cl2O2/c1-2-3-4-5-12-8-13-9(6-10)7-11/h9H,2-8H2,1H3
InChIKeyHOHQXQIOZOMYOT-UHFFFAOYSA-N
MW229.15 g/mol
LogP3.01
Rot. Bonds9

About 1-(1,3-dichloropropan-2-yloxymethoxy)pentane

1-(1,3-dichloropropan-2-yloxymethoxy)pentane (PubChem CID 134986505) has the molecular formula C9H18Cl2O2 and a molecular weight of 229.15 g/mol. Its IUPAC name is 1-(1,3-dichloropropan-2-yloxymethoxy)pentane.

Molecular Properties

Compound Name1-(1,3-dichloropropan-2-yloxymethoxy)pentane
PubChem CID134986505
Molecular FormulaC9H18Cl2O2
Molecular Weight229.15 g/mol
Exact Mass228.07
IUPAC Name1-(1,3-dichloropropan-2-yloxymethoxy)pentane
SMILESCCCCCOCOC(CCl)CCl
InChIInChI=1S/C9H18Cl2O2/c1-2-3-4-5-12-8-13-9(6-10)7-11/h9H,2-8H2,1H3
InChIKeyHOHQXQIOZOMYOT-UHFFFAOYSA-N
XLogP3.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 53.01
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(1-chloroethoxymethoxy)dodecane
CID 174404410
N,N-dimethyl-2,3-bis(nonoxymethoxy)propan-1-amine
CID 91084568
1-(1-methoxyethoxymethoxy)undecane
CID 88750695
3-(1-chloro-3-octoxypropan-2-yl)oxypropane-1,2-diol
CID 86111870
1-(chloromethoxy)nonane
CID 12579125
1-[2,3-di(tridecoxy)propoxy]tridecane
CID 71331054
1-[2,3-di(octacosoxy)propoxy]octacosane
CID 139785017
1-(3-chloro-2-methylpropoxy)octane
CID 22002962
1-(2,3-dichloropropoxy)hexane
CID 14269129
chlorophosphane;1-pentoxypentane
CID 175245109
1-(2-chloroethoxy)octane
CID 20788542
1-(5-chloropentoxy)octane
CID 43348463

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dichloropropan-2-yloxymethoxy)pentane?
The IUPAC name of 1-(1,3-dichloropropan-2-yloxymethoxy)pentane (CID 134986505) is 1-(1,3-dichloropropan-2-yloxymethoxy)pentane.
What is the SMILES notation for 1-(1,3-dichloropropan-2-yloxymethoxy)pentane?
The canonical SMILES for 1-(1,3-dichloropropan-2-yloxymethoxy)pentane is CCCCCOCOC(CCl)CCl.
What is the InChIKey of 1-(1,3-dichloropropan-2-yloxymethoxy)pentane?
The InChIKey is HOHQXQIOZOMYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18Cl2O2/c1-2-3-4-5-12-8-13-9(6-10)7-11/h9H,2-8H2,1H3.
What are the key properties of 1-(1,3-dichloropropan-2-yloxymethoxy)pentane?
1-(1,3-dichloropropan-2-yloxymethoxy)pentane has a molecular weight of 229.15 g/mol, XLogP of 3.01, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dichloropropan-2-yloxymethoxy)pentane is sourced from PubChem (CID 134986505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).