3-(5-chloropentyl)oxolane

C9H17ClO — CID 165447140

IUPAC3-(5-chloropentyl)oxolane
SMILESClCCCCCC1CCOC1
InChIInChI=1S/C9H17ClO/c10-6-3-1-2-4-9-5-7-11-8-9/h9H,1-8H2
InChIKeyJQHYDBGCWBBARJ-UHFFFAOYSA-N
MW176.69 g/mol
LogP2.82
Rot. Bonds5

About 3-(5-chloropentyl)oxolane

3-(5-chloropentyl)oxolane (PubChem CID 165447140) has the molecular formula C9H17ClO and a molecular weight of 176.69 g/mol. Its IUPAC name is 3-(5-chloropentyl)oxolane.

Molecular Properties

Compound Name3-(5-chloropentyl)oxolane
PubChem CID165447140
Molecular FormulaC9H17ClO
Molecular Weight176.69 g/mol
Exact Mass176.10
IUPAC Name3-(5-chloropentyl)oxolane
SMILESClCCCCCC1CCOC1
InChIInChI=1S/C9H17ClO/c10-6-3-1-2-4-9-5-7-11-8-9/h9H,1-8H2
InChIKeyJQHYDBGCWBBARJ-UHFFFAOYSA-N
XLogP2.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.69
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

CID 88999867
CID 88999867
5-(oxolan-3-yl)pentanoic acid
CID 142409072
5-chloropentylcyclopentane
CID 91621144
3-(2-chloroethyl)oxane
CID 64867917
2-(oxolan-3-yl)ethanamine
CID 22355254
(3S)-3-(2-iodoethyl)oxolane
CID 97296763
4-(5-chloropentoxymethyl)oxane
CID 62382987
N-[3-(oxolan-3-yl)propyl]cyclopropanamine
CID 64504217
3-octyloxane
CID 69236112
3-(3-isothiocyanatopropyl)oxolane
CID 131227511
3-(oxolan-3-yl)-N-propan-2-ylpropan-1-amine
CID 64503037
2-(25-chloropentacosyl)oxirane
CID 89371586

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloropentyl)oxolane?
The IUPAC name of 3-(5-chloropentyl)oxolane (CID 165447140) is 3-(5-chloropentyl)oxolane.
What is the SMILES notation for 3-(5-chloropentyl)oxolane?
The canonical SMILES for 3-(5-chloropentyl)oxolane is ClCCCCCC1CCOC1.
What is the InChIKey of 3-(5-chloropentyl)oxolane?
The InChIKey is JQHYDBGCWBBARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClO/c10-6-3-1-2-4-9-5-7-11-8-9/h9H,1-8H2.
What are the key properties of 3-(5-chloropentyl)oxolane?
3-(5-chloropentyl)oxolane has a molecular weight of 176.69 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloropentyl)oxolane is sourced from PubChem (CID 165447140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).