3-(2-chlorocyclohexyl)-2,2,5,5-tetramethyloxolane

C14H25ClO — CID 114623939

IUPAC3-(2-chlorocyclohexyl)-2,2,5,5-tetramethyloxolane
SMILESCC1(C)CC(C2CCCCC2Cl)C(C)(C)O1
InChIInChI=1S/C14H25ClO/c1-13(2)9-11(14(3,4)16-13)10-7-5-6-8-12(10)15/h10-12H,5-9H2,1-4H3
InChIKeyKINNWUIEWUMWCY-UHFFFAOYSA-N
MW244.81 g/mol
LogP4.38
Rot. Bonds1

About 3-(2-chlorocyclohexyl)-2,2,5,5-tetramethyloxolane

3-(2-chlorocyclohexyl)-2,2,5,5-tetramethyloxolane (PubChem CID 114623939) has the molecular formula C14H25ClO and a molecular weight of 244.81 g/mol. Its IUPAC name is 3-(2-chlorocyclohexyl)-2,2,5,5-tetramethyloxolane.

Molecular Properties

Compound Name3-(2-chlorocyclohexyl)-2,2,5,5-tetramethyloxolane
PubChem CID114623939
Molecular FormulaC14H25ClO
Molecular Weight244.81 g/mol
Exact Mass244.16
IUPAC Name3-(2-chlorocyclohexyl)-2,2,5,5-tetramethyloxolane
SMILESCC1(C)CC(C2CCCCC2Cl)C(C)(C)O1
InChIInChI=1S/C14H25ClO/c1-13(2)9-11(14(3,4)16-13)10-7-5-6-8-12(10)15/h10-12H,5-9H2,1-4H3
InChIKeyKINNWUIEWUMWCY-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.81
LogP ≤ 54.38
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-(2,2,5,5-tetramethyloxolan-3-yl)azepane
CID 114624050
2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclopentan-1-amine
CID 114624234
3-(2,2,5,5-tetramethyloxolan-3-yl)cycloheptan-1-ol
CID 114624248
(1R,4S,4aR,8aR)-4-chloro-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol
CID 101254788
2-(2,2,5,5-tetramethyloxolan-3-yl)cyclopentan-1-one
CID 114621794
1-chloro-2-cyclopentylcycloheptane
CID 63511633
cyclopentyl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114622899
cyclopentyl-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 114622352
cycloheptyl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623154
5-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-2-carboxylic acid
CID 114624048
N-[(1S)-1-cycloheptylethyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 81391451
1-chloro-2-(2-ethylcyclohexyl)cyclohexane
CID 63861688

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorocyclohexyl)-2,2,5,5-tetramethyloxolane?
The IUPAC name of 3-(2-chlorocyclohexyl)-2,2,5,5-tetramethyloxolane (CID 114623939) is 3-(2-chlorocyclohexyl)-2,2,5,5-tetramethyloxolane.
What is the SMILES notation for 3-(2-chlorocyclohexyl)-2,2,5,5-tetramethyloxolane?
The canonical SMILES for 3-(2-chlorocyclohexyl)-2,2,5,5-tetramethyloxolane is CC1(C)CC(C2CCCCC2Cl)C(C)(C)O1.
What is the InChIKey of 3-(2-chlorocyclohexyl)-2,2,5,5-tetramethyloxolane?
The InChIKey is KINNWUIEWUMWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClO/c1-13(2)9-11(14(3,4)16-13)10-7-5-6-8-12(10)15/h10-12H,5-9H2,1-4H3.
What are the key properties of 3-(2-chlorocyclohexyl)-2,2,5,5-tetramethyloxolane?
3-(2-chlorocyclohexyl)-2,2,5,5-tetramethyloxolane has a molecular weight of 244.81 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorocyclohexyl)-2,2,5,5-tetramethyloxolane is sourced from PubChem (CID 114623939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).