5-(3-chloro-4-methoxybutyl)-2,2-dimethyloxolane

C11H21ClO2 — CID 116523365

IUPAC5-(3-chloro-4-methoxybutyl)-2,2-dimethyloxolane
SMILESCOCC(Cl)CCC1CCC(C)(C)O1
InChIInChI=1S/C11H21ClO2/c1-11(2)7-6-10(14-11)5-4-9(12)8-13-3/h9-10H,4-8H2,1-3H3
InChIKeySRLYWZQLWBNCBN-UHFFFAOYSA-N
MW220.74 g/mol
LogP2.98
Rot. Bonds5

About 5-(3-chloro-4-methoxybutyl)-2,2-dimethyloxolane

5-(3-chloro-4-methoxybutyl)-2,2-dimethyloxolane (PubChem CID 116523365) has the molecular formula C11H21ClO2 and a molecular weight of 220.74 g/mol. Its IUPAC name is 5-(3-chloro-4-methoxybutyl)-2,2-dimethyloxolane.

Molecular Properties

Compound Name5-(3-chloro-4-methoxybutyl)-2,2-dimethyloxolane
PubChem CID116523365
Molecular FormulaC11H21ClO2
Molecular Weight220.74 g/mol
Exact Mass220.12
IUPAC Name5-(3-chloro-4-methoxybutyl)-2,2-dimethyloxolane
SMILESCOCC(Cl)CCC1CCC(C)(C)O1
InChIInChI=1S/C11H21ClO2/c1-11(2)7-6-10(14-11)5-4-9(12)8-13-3/h9-10H,4-8H2,1-3H3
InChIKeySRLYWZQLWBNCBN-UHFFFAOYSA-N
XLogP2.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(5,5-dimethyloxolan-2-yl)-1-methoxybutan-2-ol
CID 116523324
5-(4-chlorohexyl)-2,2-dimethyloxolane
CID 116524355
5-(3-bromo-4-methylpentyl)-2,2-dimethyloxolane
CID 116523355
4-(5,5-dimethyloxolan-2-yl)-N-methylbutan-2-amine
CID 116522565
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxypropan-2-amine
CID 116521074
5-(3-bromohexyl)-2,2-dimethyloxolane
CID 116523352
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 116521510
5-(4-bromopentyl)-2,2-dimethyloxolane
CID 116524361
4-(5,5-dimethyloxolan-2-yl)-N-propylbutan-2-amine
CID 116522567
3-(5,5-dimethyloxolan-2-yl)propan-1-ol
CID 116523847
5-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 116522898
1-(5,5-dimethyloxolan-2-yl)-4-methyl-N-propylpentan-3-amine
CID 116522578

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methoxybutyl)-2,2-dimethyloxolane?
The IUPAC name of 5-(3-chloro-4-methoxybutyl)-2,2-dimethyloxolane (CID 116523365) is 5-(3-chloro-4-methoxybutyl)-2,2-dimethyloxolane.
What is the SMILES notation for 5-(3-chloro-4-methoxybutyl)-2,2-dimethyloxolane?
The canonical SMILES for 5-(3-chloro-4-methoxybutyl)-2,2-dimethyloxolane is COCC(Cl)CCC1CCC(C)(C)O1.
What is the InChIKey of 5-(3-chloro-4-methoxybutyl)-2,2-dimethyloxolane?
The InChIKey is SRLYWZQLWBNCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClO2/c1-11(2)7-6-10(14-11)5-4-9(12)8-13-3/h9-10H,4-8H2,1-3H3.
What are the key properties of 5-(3-chloro-4-methoxybutyl)-2,2-dimethyloxolane?
5-(3-chloro-4-methoxybutyl)-2,2-dimethyloxolane has a molecular weight of 220.74 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methoxybutyl)-2,2-dimethyloxolane is sourced from PubChem (CID 116523365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).