2-(2-bicyclo[2.2.1]heptanyl)-4-(chloromethyl)-1,3-dioxolane

C11H17ClO2 — CID 130608231

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-4-(chloromethyl)-1,3-dioxolane
SMILESClCC1COC(C2CC3CCC2C3)O1
InChIInChI=1S/C11H17ClO2/c12-5-9-6-13-11(14-9)10-4-7-1-2-8(10)3-7/h7-11H,1-6H2
InChIKeyIEUOVFFQPQVDKT-UHFFFAOYSA-N
MW216.71 g/mol
LogP2.40
Rot. Bonds2

About 2-(2-bicyclo[2.2.1]heptanyl)-4-(chloromethyl)-1,3-dioxolane

2-(2-bicyclo[2.2.1]heptanyl)-4-(chloromethyl)-1,3-dioxolane (PubChem CID 130608231) has the molecular formula C11H17ClO2 and a molecular weight of 216.71 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-4-(chloromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-4-(chloromethyl)-1,3-dioxolane
PubChem CID130608231
Molecular FormulaC11H17ClO2
Molecular Weight216.71 g/mol
Exact Mass216.09
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-4-(chloromethyl)-1,3-dioxolane
SMILESClCC1COC(C2CC3CCC2C3)O1
InChIInChI=1S/C11H17ClO2/c12-5-9-6-13-11(14-9)10-4-7-1-2-8(10)3-7/h7-11H,1-6H2
InChIKeyIEUOVFFQPQVDKT-UHFFFAOYSA-N
XLogP2.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.71
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-bicyclo[2.2.1]heptanyl)-4-(chloromethyl)-1,3-dioxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,4R)-2-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-4-(chloromethyl)-1,3-dioxolane
CID 98152417
2-(chloro(113C)methyl)(2,3-13C2)oxirane
CID 76973011
(1R,2S,4S)-2-(chloromethyl)bicyclo[2.2.1]heptane
CID 55301828
(2-cyclopropyl-1,3-dioxolan-4-yl)methanol
CID 115094726
N,N-bis(oxiran-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 150127133
4-(chloromethyl)-2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxolane
CID 13435636
2-(2-bicyclo[2.2.1]heptanyl)-5-(bromomethyl)oxolane
CID 130706216
5-(chloromethyl)-1,4-dioxane-2,3-diol
CID 15606719
2-(chloromethyl)oxirane;pentachloro-λ5-stibane
CID 91666506
tetracyclo[6.2.1.02,5.04,6]undecane
CID 143721490
2-(chloromethyl)oxirane;dihydroxy(oxo)silane
CID 88521113
2-(2-cyclopropyl-1,3-dioxolan-4-yl)acetonitrile
CID 117170053

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-4-(chloromethyl)-1,3-dioxolane?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-4-(chloromethyl)-1,3-dioxolane (CID 130608231) is 2-(2-bicyclo[2.2.1]heptanyl)-4-(chloromethyl)-1,3-dioxolane.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-4-(chloromethyl)-1,3-dioxolane?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-4-(chloromethyl)-1,3-dioxolane is ClCC1COC(C2CC3CCC2C3)O1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-4-(chloromethyl)-1,3-dioxolane?
The InChIKey is IEUOVFFQPQVDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClO2/c12-5-9-6-13-11(14-9)10-4-7-1-2-8(10)3-7/h7-11H,1-6H2.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-4-(chloromethyl)-1,3-dioxolane?
2-(2-bicyclo[2.2.1]heptanyl)-4-(chloromethyl)-1,3-dioxolane has a molecular weight of 216.71 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-4-(chloromethyl)-1,3-dioxolane is sourced from PubChem (CID 130608231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).