2-[3-(2-chlorocyclopentyl)propyl]oxolane

C12H21ClO — CID 65166471

IUPAC2-[3-(2-chlorocyclopentyl)propyl]oxolane
SMILESClC1CCCC1CCCC1CCCO1
InChIInChI=1S/C12H21ClO/c13-12-8-2-5-10(12)4-1-6-11-7-3-9-14-11/h10-12H,1-9H2
InChIKeyDPVGUOMFTXWBLH-UHFFFAOYSA-N
MW216.75 g/mol
LogP3.74
Rot. Bonds4

About 2-[3-(2-chlorocyclopentyl)propyl]oxolane

2-[3-(2-chlorocyclopentyl)propyl]oxolane (PubChem CID 65166471) has the molecular formula C12H21ClO and a molecular weight of 216.75 g/mol. Its IUPAC name is 2-[3-(2-chlorocyclopentyl)propyl]oxolane.

Molecular Properties

Compound Name2-[3-(2-chlorocyclopentyl)propyl]oxolane
PubChem CID65166471
Molecular FormulaC12H21ClO
Molecular Weight216.75 g/mol
Exact Mass216.13
IUPAC Name2-[3-(2-chlorocyclopentyl)propyl]oxolane
SMILESClC1CCCC1CCCC1CCCO1
InChIInChI=1S/C12H21ClO/c13-12-8-2-5-10(12)4-1-6-11-7-3-9-14-11/h10-12H,1-9H2
InChIKeyDPVGUOMFTXWBLH-UHFFFAOYSA-N
XLogP3.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.75
LogP ≤ 53.74
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-(oxiran-2-yl)propyl]oxolane
CID 115410470
2-[3-(2-chloro-5-ethylcyclohexyl)propyl]oxolane
CID 65165949
2-[3-(oxolan-2-yl)propyl]cycloheptan-1-amine
CID 65162768
2-[3-(oxan-2-yl)propyl]oxane
CID 71182925
2-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid
CID 81008976
(2S)-2-(6-chlorohexyl)oxolane
CID 155932056
N-[[2-[3-(oxolan-2-yl)propyl]cyclohexyl]methyl]propan-2-amine
CID 81024162
2-(3-bromopropyl)oxolane
CID 15783712
2-methyl-N-[[2-[3-(oxolan-2-yl)propyl]cycloheptyl]methyl]propan-1-amine
CID 81033452
N-[(2-chlorocyclopentyl)methyl]-2-(oxolan-2-yl)acetamide
CID 114303017
2-(3-chloropropyl)oxane
CID 23511686
N-[[2-[3-(oxolan-2-yl)propyl]cyclobutyl]methyl]propan-2-amine
CID 81017533

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorocyclopentyl)propyl]oxolane?
The IUPAC name of 2-[3-(2-chlorocyclopentyl)propyl]oxolane (CID 65166471) is 2-[3-(2-chlorocyclopentyl)propyl]oxolane.
What is the SMILES notation for 2-[3-(2-chlorocyclopentyl)propyl]oxolane?
The canonical SMILES for 2-[3-(2-chlorocyclopentyl)propyl]oxolane is ClC1CCCC1CCCC1CCCO1.
What is the InChIKey of 2-[3-(2-chlorocyclopentyl)propyl]oxolane?
The InChIKey is DPVGUOMFTXWBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClO/c13-12-8-2-5-10(12)4-1-6-11-7-3-9-14-11/h10-12H,1-9H2.
What are the key properties of 2-[3-(2-chlorocyclopentyl)propyl]oxolane?
2-[3-(2-chlorocyclopentyl)propyl]oxolane has a molecular weight of 216.75 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chlorocyclopentyl)propyl]oxolane is sourced from PubChem (CID 65166471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).