1-chloro-2-(chloromethyl)-2-methyl-3-methylidenebicyclo[2.2.1]heptane

C10H14Cl2 — CID 91468895

IUPAC1-chloro-2-(chloromethyl)-2-methyl-3-methylidenebicyclo[2.2.1]heptane
SMILESC=C1C2CCC(Cl)(C2)C1(C)CCl
InChIInChI=1S/C10H14Cl2/c1-7-8-3-4-10(12,5-8)9(7,2)6-11/h8H,1,3-6H2,2H3
InChIKeyPPAWDUIMHMUSFV-UHFFFAOYSA-N
MW205.13 g/mol
LogP3.58
Rot. Bonds1

About 1-chloro-2-(chloromethyl)-2-methyl-3-methylidenebicyclo[2.2.1]heptane

1-chloro-2-(chloromethyl)-2-methyl-3-methylidenebicyclo[2.2.1]heptane (PubChem CID 91468895) has the molecular formula C10H14Cl2 and a molecular weight of 205.13 g/mol. Its IUPAC name is 1-chloro-2-(chloromethyl)-2-methyl-3-methylidenebicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1-chloro-2-(chloromethyl)-2-methyl-3-methylidenebicyclo[2.2.1]heptane
PubChem CID91468895
Molecular FormulaC10H14Cl2
Molecular Weight205.13 g/mol
Exact Mass204.05
IUPAC Name1-chloro-2-(chloromethyl)-2-methyl-3-methylidenebicyclo[2.2.1]heptane
SMILESC=C1C2CCC(Cl)(C2)C1(C)CCl
InChIInChI=1S/C10H14Cl2/c1-7-8-3-4-10(12,5-8)9(7,2)6-11/h8H,1,3-6H2,2H3
InChIKeyPPAWDUIMHMUSFV-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.13
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

1-Chloro-2-methylene-3,3-dimethylbicyclo(2.2.1)heptane
CID 138097
1-Chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane
CID 22641151
1-Chloro-3-(chloromethylidene)-2,2-bis(trichloromethyl)bicyclo[2.2.1]heptane
CID 54217382
Parlar 11
CID 5375921
6-Chloro-2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane
CID 4533559
(Z)-10-Chlorcamphen
CID 12940264
Heptachlor-camphen
CID 129643580
Parlar 25
CID 6442265
5,5,6-Exo,8,8,9,9,10-octachlorocamphene
CID 91751015
5,5,6-Exo,8,9,9,10-heptachlorocamphene
CID 91751016
5-Exo,6-endo,7-anti,8,9,10-hexachlorocamphene
CID 91751017
5-Exo,6-endo,8,9,9,10-hexachlorocamphene
CID 91751018

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(chloromethyl)-2-methyl-3-methylidenebicyclo[2.2.1]heptane?
The IUPAC name of 1-chloro-2-(chloromethyl)-2-methyl-3-methylidenebicyclo[2.2.1]heptane (CID 91468895) is 1-chloro-2-(chloromethyl)-2-methyl-3-methylidenebicyclo[2.2.1]heptane.
What is the SMILES notation for 1-chloro-2-(chloromethyl)-2-methyl-3-methylidenebicyclo[2.2.1]heptane?
The canonical SMILES for 1-chloro-2-(chloromethyl)-2-methyl-3-methylidenebicyclo[2.2.1]heptane is C=C1C2CCC(Cl)(C2)C1(C)CCl.
What is the InChIKey of 1-chloro-2-(chloromethyl)-2-methyl-3-methylidenebicyclo[2.2.1]heptane?
The InChIKey is PPAWDUIMHMUSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2/c1-7-8-3-4-10(12,5-8)9(7,2)6-11/h8H,1,3-6H2,2H3.
What are the key properties of 1-chloro-2-(chloromethyl)-2-methyl-3-methylidenebicyclo[2.2.1]heptane?
1-chloro-2-(chloromethyl)-2-methyl-3-methylidenebicyclo[2.2.1]heptane has a molecular weight of 205.13 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(chloromethyl)-2-methyl-3-methylidenebicyclo[2.2.1]heptane is sourced from PubChem (CID 91468895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).