7-(chloromethyl)-2-(2-methylpropyl)bicyclo[3.2.2]nonane

C14H25Cl — CID 134182700

IUPAC7-(chloromethyl)-2-(2-methylpropyl)bicyclo[3.2.2]nonane
SMILESCC(C)CC1CCC2CCC1C(CCl)C2
InChIInChI=1S/C14H25Cl/c1-10(2)7-12-5-3-11-4-6-14(12)13(8-11)9-15/h10-14H,3-9H2,1-2H3
InChIKeyXAJDGAYYKBBIDF-UHFFFAOYSA-N
MW228.81 g/mol
LogP4.71
Rot. Bonds3

About 7-(chloromethyl)-2-(2-methylpropyl)bicyclo[3.2.2]nonane

7-(chloromethyl)-2-(2-methylpropyl)bicyclo[3.2.2]nonane (PubChem CID 134182700) has the molecular formula C14H25Cl and a molecular weight of 228.81 g/mol. Its IUPAC name is 7-(chloromethyl)-2-(2-methylpropyl)bicyclo[3.2.2]nonane.

Molecular Properties

Compound Name7-(chloromethyl)-2-(2-methylpropyl)bicyclo[3.2.2]nonane
PubChem CID134182700
Molecular FormulaC14H25Cl
Molecular Weight228.81 g/mol
Exact Mass228.16
IUPAC Name7-(chloromethyl)-2-(2-methylpropyl)bicyclo[3.2.2]nonane
SMILESCC(C)CC1CCC2CCC1C(CCl)C2
InChIInChI=1S/C14H25Cl/c1-10(2)7-12-5-3-11-4-6-14(12)13(8-11)9-15/h10-14H,3-9H2,1-2H3
InChIKeyXAJDGAYYKBBIDF-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.81
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 144386943
CID 144386943
CID 14166074
CID 14166074
CID 23061579
CID 23061579
CID 53802388
CID 53802388
CID 66469845
CID 66469845
CID 123394385
CID 123394385
CID 129059983
CID 129059983
CID 130255173
CID 130255173
CID 134205411
CID 134205411
CID 134205436
CID 134205436
CID 137428084
CID 137428084
CID 138749515
CID 138749515

Frequently Asked Questions

What is the IUPAC name of 7-(chloromethyl)-2-(2-methylpropyl)bicyclo[3.2.2]nonane?
The IUPAC name of 7-(chloromethyl)-2-(2-methylpropyl)bicyclo[3.2.2]nonane (CID 134182700) is 7-(chloromethyl)-2-(2-methylpropyl)bicyclo[3.2.2]nonane.
What is the SMILES notation for 7-(chloromethyl)-2-(2-methylpropyl)bicyclo[3.2.2]nonane?
The canonical SMILES for 7-(chloromethyl)-2-(2-methylpropyl)bicyclo[3.2.2]nonane is CC(C)CC1CCC2CCC1C(CCl)C2.
What is the InChIKey of 7-(chloromethyl)-2-(2-methylpropyl)bicyclo[3.2.2]nonane?
The InChIKey is XAJDGAYYKBBIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25Cl/c1-10(2)7-12-5-3-11-4-6-14(12)13(8-11)9-15/h10-14H,3-9H2,1-2H3.
What are the key properties of 7-(chloromethyl)-2-(2-methylpropyl)bicyclo[3.2.2]nonane?
7-(chloromethyl)-2-(2-methylpropyl)bicyclo[3.2.2]nonane has a molecular weight of 228.81 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(chloromethyl)-2-(2-methylpropyl)bicyclo[3.2.2]nonane is sourced from PubChem (CID 134182700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).