2-[4-(chloromethyl)hexyl]oxolane

C11H21ClO — CID 66034557

IUPAC2-[4-(chloromethyl)hexyl]oxolane
SMILESCCC(CCl)CCCC1CCCO1
InChIInChI=1S/C11H21ClO/c1-2-10(9-12)5-3-6-11-7-4-8-13-11/h10-11H,2-9H2,1H3
InChIKeyYDGZBYRNWNUFDV-UHFFFAOYSA-N
MW204.74 g/mol
LogP3.60
Rot. Bonds6

About 2-[4-(chloromethyl)hexyl]oxolane

2-[4-(chloromethyl)hexyl]oxolane (PubChem CID 66034557) has the molecular formula C11H21ClO and a molecular weight of 204.74 g/mol. Its IUPAC name is 2-[4-(chloromethyl)hexyl]oxolane.

Molecular Properties

Compound Name2-[4-(chloromethyl)hexyl]oxolane
PubChem CID66034557
Molecular FormulaC11H21ClO
Molecular Weight204.74 g/mol
Exact Mass204.13
IUPAC Name2-[4-(chloromethyl)hexyl]oxolane
SMILESCCC(CCl)CCCC1CCCO1
InChIInChI=1S/C11H21ClO/c1-2-10(9-12)5-3-6-11-7-4-8-13-11/h10-11H,2-9H2,1H3
InChIKeyYDGZBYRNWNUFDV-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.74
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chloro-4-methylpentyl)oxolane
CID 65165310
2-(5-chloro-4-methylheptyl)oxolane
CID 65165898
5-(oxolan-2-yl)-2-propylpentan-1-ol
CID 66058975
2-ethyl-N-[3-(oxolan-2-yl)propyl]hexan-1-amine
CID 104668425
2-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 65165961
2-(5-bromoheptyl)oxolane
CID 65166211
1-(oxolan-2-yl)octane-4,5-diol
CID 103454832
2-[4-[5-(oxolan-2-yl)pentan-2-ylsulfanyl]pentyl]oxolane
CID 54448834
2-(4-chloro-4-cyclopropylbutyl)oxolane
CID 64506432
2-[3-(chloromethyl)-4-methylpentyl]oxolane
CID 66033878
N-(2-methylpropyl)-5-(oxolan-2-yl)-2-propylpentan-1-amine
CID 65166550
N,5-dimethyl-1-(oxolan-2-yl)heptan-4-amine
CID 65164663

Frequently Asked Questions

What is the IUPAC name of 2-[4-(chloromethyl)hexyl]oxolane?
The IUPAC name of 2-[4-(chloromethyl)hexyl]oxolane (CID 66034557) is 2-[4-(chloromethyl)hexyl]oxolane.
What is the SMILES notation for 2-[4-(chloromethyl)hexyl]oxolane?
The canonical SMILES for 2-[4-(chloromethyl)hexyl]oxolane is CCC(CCl)CCCC1CCCO1.
What is the InChIKey of 2-[4-(chloromethyl)hexyl]oxolane?
The InChIKey is YDGZBYRNWNUFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClO/c1-2-10(9-12)5-3-6-11-7-4-8-13-11/h10-11H,2-9H2,1H3.
What are the key properties of 2-[4-(chloromethyl)hexyl]oxolane?
2-[4-(chloromethyl)hexyl]oxolane has a molecular weight of 204.74 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(chloromethyl)hexyl]oxolane is sourced from PubChem (CID 66034557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).