1-(2-chloro-2-methoxyethyl)tricyclo[5.1.1.13,5]decane

C13H21ClO — CID 123214349

IUPAC1-(2-chloro-2-methoxyethyl)tricyclo[5.1.1.13,5]decane
SMILESCOC(Cl)CC12CC3CC(C3)CC(C1)C2
InChIInChI=1S/C13H21ClO/c1-15-12(14)8-13-5-10-2-9(3-10)4-11(6-13)7-13/h9-12H,2-8H2,1H3
InChIKeyGWYBHYGVRHHRRO-UHFFFAOYSA-N
MW228.76 g/mol
LogP3.80
Rot. Bonds3

About 1-(2-chloro-2-methoxyethyl)tricyclo[5.1.1.13,5]decane

1-(2-chloro-2-methoxyethyl)tricyclo[5.1.1.13,5]decane (PubChem CID 123214349) has the molecular formula C13H21ClO and a molecular weight of 228.76 g/mol. Its IUPAC name is 1-(2-chloro-2-methoxyethyl)tricyclo[5.1.1.13,5]decane.

Molecular Properties

Compound Name1-(2-chloro-2-methoxyethyl)tricyclo[5.1.1.13,5]decane
PubChem CID123214349
Molecular FormulaC13H21ClO
Molecular Weight228.76 g/mol
Exact Mass228.13
IUPAC Name1-(2-chloro-2-methoxyethyl)tricyclo[5.1.1.13,5]decane
SMILESCOC(Cl)CC12CC3CC(C3)CC(C1)C2
InChIInChI=1S/C13H21ClO/c1-15-12(14)8-13-5-10-2-9(3-10)4-11(6-13)7-13/h9-12H,2-8H2,1H3
InChIKeyGWYBHYGVRHHRRO-UHFFFAOYSA-N
XLogP3.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.76
LogP ≤ 53.80
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

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1-(1-adamantyl)-N-methylbut-3-yn-2-amine
CID 104995596
1-(1-adamantyl)-3-ethoxy-N-ethylpropan-2-amine
CID 105008151
1-[[(2R)-3-methylbutan-2-yl]oxymethyl]adamantane
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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-2-methoxyethyl)tricyclo[5.1.1.13,5]decane?
The IUPAC name of 1-(2-chloro-2-methoxyethyl)tricyclo[5.1.1.13,5]decane (CID 123214349) is 1-(2-chloro-2-methoxyethyl)tricyclo[5.1.1.13,5]decane.
What is the SMILES notation for 1-(2-chloro-2-methoxyethyl)tricyclo[5.1.1.13,5]decane?
The canonical SMILES for 1-(2-chloro-2-methoxyethyl)tricyclo[5.1.1.13,5]decane is COC(Cl)CC12CC3CC(C3)CC(C1)C2.
What is the InChIKey of 1-(2-chloro-2-methoxyethyl)tricyclo[5.1.1.13,5]decane?
The InChIKey is GWYBHYGVRHHRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClO/c1-15-12(14)8-13-5-10-2-9(3-10)4-11(6-13)7-13/h9-12H,2-8H2,1H3.
What are the key properties of 1-(2-chloro-2-methoxyethyl)tricyclo[5.1.1.13,5]decane?
1-(2-chloro-2-methoxyethyl)tricyclo[5.1.1.13,5]decane has a molecular weight of 228.76 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-2-methoxyethyl)tricyclo[5.1.1.13,5]decane is sourced from PubChem (CID 123214349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).