2-(5-chloro-4-methylpentyl)oxolane

C10H19ClO — CID 65165310

IUPAC2-(5-chloro-4-methylpentyl)oxolane
SMILESCC(CCl)CCCC1CCCO1
InChIInChI=1S/C10H19ClO/c1-9(8-11)4-2-5-10-6-3-7-12-10/h9-10H,2-8H2,1H3
InChIKeyCUEIMOPZIFLXDN-UHFFFAOYSA-N
MW190.71 g/mol
LogP3.21
Rot. Bonds5

About 2-(5-chloro-4-methylpentyl)oxolane

2-(5-chloro-4-methylpentyl)oxolane (PubChem CID 65165310) has the molecular formula C10H19ClO and a molecular weight of 190.71 g/mol. Its IUPAC name is 2-(5-chloro-4-methylpentyl)oxolane.

Molecular Properties

Compound Name2-(5-chloro-4-methylpentyl)oxolane
PubChem CID65165310
Molecular FormulaC10H19ClO
Molecular Weight190.71 g/mol
Exact Mass190.11
IUPAC Name2-(5-chloro-4-methylpentyl)oxolane
SMILESCC(CCl)CCCC1CCCO1
InChIInChI=1S/C10H19ClO/c1-9(8-11)4-2-5-10-6-3-7-12-10/h9-10H,2-8H2,1H3
InChIKeyCUEIMOPZIFLXDN-UHFFFAOYSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.71
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(5-chloro-4-methylpentyl)oxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-6-(oxolan-2-yl)hexan-1-amine
CID 81013220
2-[4-(chloromethyl)hexyl]oxolane
CID 66034557
4-methyl-7-(oxolan-2-yl)heptan-2-amine
CID 65164978
(2S)-2-(3-chloro-2-methylpropyl)oxolane
CID 165447123
2-(5-chloro-4-methylheptyl)oxolane
CID 65165898
2-[4-[5-(oxolan-2-yl)pentan-2-ylsulfanyl]pentyl]oxolane
CID 54448834
2-[3-(chloromethyl)-4-methylpentyl]oxolane
CID 66033878
3-methyl-6-(oxolan-2-yl)hexan-2-ol
CID 65166050
N-tert-butyl-3-methyl-6-(oxolan-2-yl)hexan-1-amine
CID 81020024
2-methoxy-6-(oxolan-2-yl)hexan-3-amine
CID 79617762
2-(4-chloro-4-cyclopropylbutyl)oxolane
CID 64506432
5-(aminomethyl)-6-methyl-1-(oxolan-2-yl)heptan-4-ol
CID 107443069

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4-methylpentyl)oxolane?
The IUPAC name of 2-(5-chloro-4-methylpentyl)oxolane (CID 65165310) is 2-(5-chloro-4-methylpentyl)oxolane.
What is the SMILES notation for 2-(5-chloro-4-methylpentyl)oxolane?
The canonical SMILES for 2-(5-chloro-4-methylpentyl)oxolane is CC(CCl)CCCC1CCCO1.
What is the InChIKey of 2-(5-chloro-4-methylpentyl)oxolane?
The InChIKey is CUEIMOPZIFLXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClO/c1-9(8-11)4-2-5-10-6-3-7-12-10/h9-10H,2-8H2,1H3.
What are the key properties of 2-(5-chloro-4-methylpentyl)oxolane?
2-(5-chloro-4-methylpentyl)oxolane has a molecular weight of 190.71 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4-methylpentyl)oxolane is sourced from PubChem (CID 65165310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).