5-(4-chlorohexyl)-2,2-dimethyloxolane

C12H23ClO — CID 116524355

IUPAC5-(4-chlorohexyl)-2,2-dimethyloxolane
SMILESCCC(Cl)CCCC1CCC(C)(C)O1
InChIInChI=1S/C12H23ClO/c1-4-10(13)6-5-7-11-8-9-12(2,3)14-11/h10-11H,4-9H2,1-3H3
InChIKeyBLWFRXUBJKWMQP-UHFFFAOYSA-N
MW218.77 g/mol
LogP4.13
Rot. Bonds5

About 5-(4-chlorohexyl)-2,2-dimethyloxolane

5-(4-chlorohexyl)-2,2-dimethyloxolane (PubChem CID 116524355) has the molecular formula C12H23ClO and a molecular weight of 218.77 g/mol. Its IUPAC name is 5-(4-chlorohexyl)-2,2-dimethyloxolane.

Molecular Properties

Compound Name5-(4-chlorohexyl)-2,2-dimethyloxolane
PubChem CID116524355
Molecular FormulaC12H23ClO
Molecular Weight218.77 g/mol
Exact Mass218.14
IUPAC Name5-(4-chlorohexyl)-2,2-dimethyloxolane
SMILESCCC(Cl)CCCC1CCC(C)(C)O1
InChIInChI=1S/C12H23ClO/c1-4-10(13)6-5-7-11-8-9-12(2,3)14-11/h10-11H,4-9H2,1-3H3
InChIKeyBLWFRXUBJKWMQP-UHFFFAOYSA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.77
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-(4-chlorohexyl)-2,2-dimethyloxolane 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

5-(4-bromopentyl)-2,2-dimethyloxolane
CID 116524361
5-(3-chloro-4-methoxybutyl)-2,2-dimethyloxolane
CID 116523365
6-(5,5-dimethyloxolan-2-yl)-2,2-dimethylhexan-3-amine
CID 116524272
3-(5,5-dimethyloxolan-2-yl)propan-1-ol
CID 116523847
4-(5,5-dimethyloxolan-2-yl)butan-1-ol
CID 116524331
5-(3-bromohexyl)-2,2-dimethyloxolane
CID 116523352
4-(5,5-dimethyloxolan-2-yl)-N-propylbutan-2-amine
CID 116522567
5-(3-bromo-4-methylpentyl)-2,2-dimethyloxolane
CID 116523355
4-(5,5-dimethyloxolan-2-yl)-N-propan-2-ylbutan-1-amine
CID 116524277
4-(5,5-dimethyloxolan-2-yl)-N-methylbutan-2-amine
CID 116522565
N-[3-(5,5-dimethyloxolan-2-yl)propyl]-2-methylpropan-1-amine
CID 116523545
1-(5,5-dimethyloxolan-2-yl)butan-2-amine
CID 116524943

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorohexyl)-2,2-dimethyloxolane?
The IUPAC name of 5-(4-chlorohexyl)-2,2-dimethyloxolane (CID 116524355) is 5-(4-chlorohexyl)-2,2-dimethyloxolane.
What is the SMILES notation for 5-(4-chlorohexyl)-2,2-dimethyloxolane?
The canonical SMILES for 5-(4-chlorohexyl)-2,2-dimethyloxolane is CCC(Cl)CCCC1CCC(C)(C)O1.
What is the InChIKey of 5-(4-chlorohexyl)-2,2-dimethyloxolane?
The InChIKey is BLWFRXUBJKWMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClO/c1-4-10(13)6-5-7-11-8-9-12(2,3)14-11/h10-11H,4-9H2,1-3H3.
What are the key properties of 5-(4-chlorohexyl)-2,2-dimethyloxolane?
5-(4-chlorohexyl)-2,2-dimethyloxolane has a molecular weight of 218.77 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorohexyl)-2,2-dimethyloxolane is sourced from PubChem (CID 116524355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).