(1S,4S,5R)-5-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane

C10H15Cl — CID 102064472

IUPAC(1S,4S,5R)-5-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane
SMILESC=C1[C@@H]2C[C@@H](C[C@H]2Cl)C1(C)C
InChIInChI=1S/C10H15Cl/c1-6-8-4-7(5-9(8)11)10(6,2)3/h7-9H,1,4-5H2,2-3H3/t7-,8-,9+/m0/s1
InChIKeyRYBMATYKJPKXJO-XHNCKOQMSA-N
MW170.68 g/mol
LogP3.22
Rot. Bonds

About (1S,4S,5R)-5-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane

(1S,4S,5R)-5-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane (PubChem CID 102064472) has the molecular formula C10H15Cl and a molecular weight of 170.68 g/mol. Its IUPAC name is (1S,4S,5R)-5-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S,4S,5R)-5-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane
PubChem CID102064472
Molecular FormulaC10H15Cl
Molecular Weight170.68 g/mol
Exact Mass170.09
IUPAC Name(1S,4S,5R)-5-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane
SMILESC=C1[C@@H]2C[C@@H](C[C@H]2Cl)C1(C)C
InChIInChI=1S/C10H15Cl/c1-6-8-4-7(5-9(8)11)10(6,2)3/h7-9H,1,4-5H2,2-3H3/t7-,8-,9+/m0/s1
InChIKeyRYBMATYKJPKXJO-XHNCKOQMSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.68
LogP ≤ 53.22
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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Frequently Asked Questions

What is the IUPAC name of (1S,4S,5R)-5-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane?
The IUPAC name of (1S,4S,5R)-5-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane (CID 102064472) is (1S,4S,5R)-5-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane.
What is the SMILES notation for (1S,4S,5R)-5-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane?
The canonical SMILES for (1S,4S,5R)-5-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane is C=C1[C@@H]2C[C@@H](C[C@H]2Cl)C1(C)C.
What is the InChIKey of (1S,4S,5R)-5-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane?
The InChIKey is RYBMATYKJPKXJO-XHNCKOQMSA-N. The full InChI is InChI=1S/C10H15Cl/c1-6-8-4-7(5-9(8)11)10(6,2)3/h7-9H,1,4-5H2,2-3H3/t7-,8-,9+/m0/s1.
What are the key properties of (1S,4S,5R)-5-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane?
(1S,4S,5R)-5-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane has a molecular weight of 170.68 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,5R)-5-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane is sourced from PubChem (CID 102064472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).