5-[(2-chloro-5-ethylcyclohexyl)methyl]-2,2-dimethyloxolane

C15H27ClO — CID 116523345

IUPAC5-[(2-chloro-5-ethylcyclohexyl)methyl]-2,2-dimethyloxolane
SMILESCCC1CCC(Cl)C(CC2CCC(C)(C)O2)C1
InChIInChI=1S/C15H27ClO/c1-4-11-5-6-14(16)12(9-11)10-13-7-8-15(2,3)17-13/h11-14H,4-10H2,1-3H3
InChIKeyWHLRPOLUNYIWAN-UHFFFAOYSA-N
MW258.83 g/mol
LogP4.77
Rot. Bonds3

About 5-[(2-chloro-5-ethylcyclohexyl)methyl]-2,2-dimethyloxolane

5-[(2-chloro-5-ethylcyclohexyl)methyl]-2,2-dimethyloxolane (PubChem CID 116523345) has the molecular formula C15H27ClO and a molecular weight of 258.83 g/mol. Its IUPAC name is 5-[(2-chloro-5-ethylcyclohexyl)methyl]-2,2-dimethyloxolane.

Molecular Properties

Compound Name5-[(2-chloro-5-ethylcyclohexyl)methyl]-2,2-dimethyloxolane
PubChem CID116523345
Molecular FormulaC15H27ClO
Molecular Weight258.83 g/mol
Exact Mass258.18
IUPAC Name5-[(2-chloro-5-ethylcyclohexyl)methyl]-2,2-dimethyloxolane
SMILESCCC1CCC(Cl)C(CC2CCC(C)(C)O2)C1
InChIInChI=1S/C15H27ClO/c1-4-11-5-6-14(16)12(9-11)10-13-7-8-15(2,3)17-13/h11-14H,4-10H2,1-3H3
InChIKeyWHLRPOLUNYIWAN-UHFFFAOYSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.83
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-5-ethylcyclohexyl)methyl]-2,2-dimethyloxolane?
The IUPAC name of 5-[(2-chloro-5-ethylcyclohexyl)methyl]-2,2-dimethyloxolane (CID 116523345) is 5-[(2-chloro-5-ethylcyclohexyl)methyl]-2,2-dimethyloxolane.
What is the SMILES notation for 5-[(2-chloro-5-ethylcyclohexyl)methyl]-2,2-dimethyloxolane?
The canonical SMILES for 5-[(2-chloro-5-ethylcyclohexyl)methyl]-2,2-dimethyloxolane is CCC1CCC(Cl)C(CC2CCC(C)(C)O2)C1.
What is the InChIKey of 5-[(2-chloro-5-ethylcyclohexyl)methyl]-2,2-dimethyloxolane?
The InChIKey is WHLRPOLUNYIWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClO/c1-4-11-5-6-14(16)12(9-11)10-13-7-8-15(2,3)17-13/h11-14H,4-10H2,1-3H3.
What are the key properties of 5-[(2-chloro-5-ethylcyclohexyl)methyl]-2,2-dimethyloxolane?
5-[(2-chloro-5-ethylcyclohexyl)methyl]-2,2-dimethyloxolane has a molecular weight of 258.83 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-5-ethylcyclohexyl)methyl]-2,2-dimethyloxolane is sourced from PubChem (CID 116523345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).