4-(5-chloropentoxymethyl)oxane

C11H21ClO2 — CID 62382987

IUPAC4-(5-chloropentoxymethyl)oxane
SMILESClCCCCCOCC1CCOCC1
InChIInChI=1S/C11H21ClO2/c12-6-2-1-3-7-14-10-11-4-8-13-9-5-11/h11H,1-10H2
InChIKeyOAFVPOKWHRKCIS-UHFFFAOYSA-N
MW220.74 g/mol
LogP2.84
Rot. Bonds7

About 4-(5-chloropentoxymethyl)oxane

4-(5-chloropentoxymethyl)oxane (PubChem CID 62382987) has the molecular formula C11H21ClO2 and a molecular weight of 220.74 g/mol. Its IUPAC name is 4-(5-chloropentoxymethyl)oxane.

Molecular Properties

Compound Name4-(5-chloropentoxymethyl)oxane
PubChem CID62382987
Molecular FormulaC11H21ClO2
Molecular Weight220.74 g/mol
Exact Mass220.12
IUPAC Name4-(5-chloropentoxymethyl)oxane
SMILESClCCCCCOCC1CCOCC1
InChIInChI=1S/C11H21ClO2/c12-6-2-1-3-7-14-10-11-4-8-13-9-5-11/h11H,1-10H2
InChIKeyOAFVPOKWHRKCIS-UHFFFAOYSA-N
XLogP2.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 52.84
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

4-(chloromethoxymethyl)oxane
CID 79530199
6-(oxan-4-ylmethoxy)hexan-2-one
CID 62382275
6-(oxan-4-ylmethoxy)hexan-2-amine
CID 62382428
5-(oxan-4-ylmethoxy)pentanimidamide
CID 62383195
3-(5-chloropentyl)oxolane
CID 165447140
2-amino-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol
CID 64811178
N-[2-(oxan-4-ylmethoxy)ethyl]butan-1-amine
CID 62583465
N-(cyclohexylmethyl)-2-(oxan-4-ylmethoxy)ethanamine
CID 62584968
2-(oxan-4-ylmethoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62582727
1-(5-methoxypentyl)-2-methyl-3-[3-(oxan-4-ylmethoxy)propyl]guanidine;hydroiodide
CID 111643701
2-(ethylamino)-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol
CID 64808670
2-amino-4-(oxan-4-ylmethoxy)butanenitrile
CID 63055278

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloropentoxymethyl)oxane?
The IUPAC name of 4-(5-chloropentoxymethyl)oxane (CID 62382987) is 4-(5-chloropentoxymethyl)oxane.
What is the SMILES notation for 4-(5-chloropentoxymethyl)oxane?
The canonical SMILES for 4-(5-chloropentoxymethyl)oxane is ClCCCCCOCC1CCOCC1.
What is the InChIKey of 4-(5-chloropentoxymethyl)oxane?
The InChIKey is OAFVPOKWHRKCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClO2/c12-6-2-1-3-7-14-10-11-4-8-13-9-5-11/h11H,1-10H2.
What are the key properties of 4-(5-chloropentoxymethyl)oxane?
4-(5-chloropentoxymethyl)oxane has a molecular weight of 220.74 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloropentoxymethyl)oxane is sourced from PubChem (CID 62382987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).