2-(3-chloropropyl)oxane

C8H15ClO — CID 23511686

IUPAC2-(3-chloropropyl)oxane
SMILESClCCCC1CCCCO1
InChIInChI=1S/C8H15ClO/c9-6-3-5-8-4-1-2-7-10-8/h8H,1-7H2
InChIKeyKDCIVZLTFOASEI-UHFFFAOYSA-N
MW162.66 g/mol
LogP2.57
Rot. Bonds3

About 2-(3-chloropropyl)oxane

2-(3-chloropropyl)oxane (PubChem CID 23511686) has the molecular formula C8H15ClO and a molecular weight of 162.66 g/mol. Its IUPAC name is 2-(3-chloropropyl)oxane.

Molecular Properties

Compound Name2-(3-chloropropyl)oxane
PubChem CID23511686
Molecular FormulaC8H15ClO
Molecular Weight162.66 g/mol
Exact Mass162.08
IUPAC Name2-(3-chloropropyl)oxane
SMILESClCCCC1CCCCO1
InChIInChI=1S/C8H15ClO/c9-6-3-5-8-4-1-2-7-10-8/h8H,1-7H2
InChIKeyKDCIVZLTFOASEI-UHFFFAOYSA-N
XLogP2.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.66
LogP ≤ 52.57
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-[3-(oxan-2-yl)propyl]oxane
CID 71182925
(2S)-2-(6-chlorohexyl)oxolane
CID 155932056
N-(2-chloroethyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65165670
6-chloro-N-[3-(oxolan-2-yl)propyl]hexan-1-amine
CID 107845985
1-chloro-7-(oxolan-2-yl)heptan-4-one
CID 66044442
2-(3-chloropropyl)-1,3-dioxepane
CID 14318108
2-[10-(oxan-2-yl)deca-4,6-diynyl]oxane
CID 101132641
2-[3-(oxiran-2-yl)propyl]oxolane
CID 115410470
N-(5-chloropentyl)-3-(oxan-2-yl)propanamide
CID 107321014
N-(3-chloropropyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutanamine
CID 102860592
2-(3-bromopropyl)oxolane
CID 15783712
5-(oxepan-2-yl)pentanal
CID 57144478

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)oxane?
The IUPAC name of 2-(3-chloropropyl)oxane (CID 23511686) is 2-(3-chloropropyl)oxane.
What is the SMILES notation for 2-(3-chloropropyl)oxane?
The canonical SMILES for 2-(3-chloropropyl)oxane is ClCCCC1CCCCO1.
What is the InChIKey of 2-(3-chloropropyl)oxane?
The InChIKey is KDCIVZLTFOASEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClO/c9-6-3-5-8-4-1-2-7-10-8/h8H,1-7H2.
What are the key properties of 2-(3-chloropropyl)oxane?
2-(3-chloropropyl)oxane has a molecular weight of 162.66 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)oxane is sourced from PubChem (CID 23511686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).