(2R,4R)-2-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-4-(chloromethyl)-1,3-dioxolane

C11H15ClO2 — CID 98152417

IUPAC(2R,4R)-2-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-4-(chloromethyl)-1,3-dioxolane
SMILESClC[C@H]1CO[C@@H]([C@H]2C[C@@H]3C=C[C@@H]2C3)O1
InChIInChI=1S/C11H15ClO2/c12-5-9-6-13-11(14-9)10-4-7-1-2-8(10)3-7/h1-2,7-11H,3-6H2/t7-,8-,9+,10+,11-/m1/s1
InChIKeyIMAZNHMBJHURDA-SAVGLBRCSA-N
MW214.69 g/mol
LogP2.18
Rot. Bonds2

About (2R,4R)-2-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-4-(chloromethyl)-1,3-dioxolane

(2R,4R)-2-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-4-(chloromethyl)-1,3-dioxolane (PubChem CID 98152417) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is (2R,4R)-2-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-4-(chloromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name(2R,4R)-2-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-4-(chloromethyl)-1,3-dioxolane
PubChem CID98152417
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name(2R,4R)-2-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-4-(chloromethyl)-1,3-dioxolane
SMILESClC[C@H]1CO[C@@H]([C@H]2C[C@@H]3C=C[C@@H]2C3)O1
InChIInChI=1S/C11H15ClO2/c12-5-9-6-13-11(14-9)10-4-7-1-2-8(10)3-7/h1-2,7-11H,3-6H2/t7-,8-,9+,10+,11-/m1/s1
InChIKeyIMAZNHMBJHURDA-SAVGLBRCSA-N
XLogP2.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,4R)-5-(chloromethyl)bicyclo[2.2.1]hept-2-ene
CID 11815475
2-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxirane
CID 59717873
2-(chloro(113C)methyl)(2,3-13C2)oxirane
CID 76973011
2-(2-bicyclo[2.2.1]hept-5-enyl)-4,6-dimethyloxane
CID 101130839
(2S,4S)-4-(chloromethyl)-2-[(2S,3S)-3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]-1,3-dioxolane
CID 98128536
4-(chloromethyl)-2-(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)-1,3-dioxolane
CID 3098028
(2R,4R)-4-(chloromethyl)-2-[(2R,3R)-3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]-1,3-dioxolane
CID 7296002
2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxirane
CID 71336937
(2S,4R)-4-(chloromethyl)-2-[(1R,6S)-6-methyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]-1,3-dioxolane
CID 98367353
5-(chloromethyl)-1,4-dioxane-2,3-diol
CID 15606719
2-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]oxetane
CID 126481118
2-(chloromethyl)oxirane;pentachloro-λ5-stibane
CID 91666506

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-4-(chloromethyl)-1,3-dioxolane?
The IUPAC name of (2R,4R)-2-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-4-(chloromethyl)-1,3-dioxolane (CID 98152417) is (2R,4R)-2-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-4-(chloromethyl)-1,3-dioxolane.
What is the SMILES notation for (2R,4R)-2-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-4-(chloromethyl)-1,3-dioxolane?
The canonical SMILES for (2R,4R)-2-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-4-(chloromethyl)-1,3-dioxolane is ClC[C@H]1CO[C@@H]([C@H]2C[C@@H]3C=C[C@@H]2C3)O1.
What is the InChIKey of (2R,4R)-2-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-4-(chloromethyl)-1,3-dioxolane?
The InChIKey is IMAZNHMBJHURDA-SAVGLBRCSA-N. The full InChI is InChI=1S/C11H15ClO2/c12-5-9-6-13-11(14-9)10-4-7-1-2-8(10)3-7/h1-2,7-11H,3-6H2/t7-,8-,9+,10+,11-/m1/s1.
What are the key properties of (2R,4R)-2-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-4-(chloromethyl)-1,3-dioxolane?
(2R,4R)-2-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-4-(chloromethyl)-1,3-dioxolane has a molecular weight of 214.69 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-4-(chloromethyl)-1,3-dioxolane is sourced from PubChem (CID 98152417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).